BDBM307894 N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-yl]pyridin-2-yl}-6-oxo spiro[3.3]heptane-2-carboxamide::US9650358, Example 190

SMILES: Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC4(C3)CC(=O)C4)ncc2Cl)c1

InChI Key: InChIKey=NRWQRLYYYQQFBT-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 307894   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM307894 ( N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol...) Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC4(C3)CC(=O)C4)ncc2Cl)c1 Show InChI InChI=1S/C27H22ClFN4O2/c28-22-13-30-25(32-26(35)18-9-27(10-18)11-20(34)12-27)8-21(22)17-4-5-23-24(7-17)33(15-31-23)14-16-2-1-3-19(29)6-16/h1-8,13,15,18H,9-12,14H2,(H,30,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...				US Patent US9650358 (2017) BindingDB Entry DOI: 10.7270/Q2057J0M
					More data for this Ligand-Target Pair