Start from what already binds
Measured potency from prior art anchors a campaign in real data. NovoMCP pulls known actives with reported IC50 and Ki straight from ChEMBL, so lead optimization begins on chemistry that has already shown activity against the target.
“Pull known actives for EGFR with measured IC50 under 100 nM.”
How it works
Name the target
Ask for actives against a target. The engine queries ChEMBL bioactivity for compounds with measured potency, IC50, Ki, and related endpoints, drawn from experiment rather than prediction.
Filter by what matters
Narrow by potency threshold, assay type, or confidence. The result is a real set of molecules with measured activity.
Feed straight into optimization
Confirmed actives become the starting scaffolds for lead optimization, each one already enriched with ADMET and compliance, carried through in the same conversation.
Proof
search_chembl retrieves measured bioactivity (IC50/Ki) across 2.4M ChEMBL compounds.
Every returned active runs through ADMET + drug-likeness locally and gets FAVES compliance flags from the hosted API, all inline in the same response.
Starting from measured actives anchors lead optimization in real structure-activity from the first step.
Use this when you need to
Anchor a campaign in compounds with measured activity
Find starting scaffolds instead of generating from scratch
Compare a novel idea against the known active set
Pull potency data without leaving the conversation
Begin on chemistry that has already worked.
2.4M measured actives. Real IC50/Ki. Lead optimization that starts from measured activity.