BDBM307806 5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-yl]-N-[2-(pyrrolidin-2-yl)ethyl]pyridin-2-amine::US9650358, Example 102

SMILES: Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCCN3)ncc2Cl)c1

InChI Key: InChIKey=ZPCHFWBIILKAQA-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 = 307806   

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))	BDBM307806 (5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-y...) Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCCN3)ncc2Cl)c1 Show InChI InChI=1S/C25H25ClFN5/c26-22-14-30-25(29-10-8-20-5-2-9-28-20)13-21(22)18-6-7-23-24(12-18)32(16-31-23)15-17-3-1-4-19(27)11-17/h1,3-4,6-7,11-14,16,20,28H,2,5,8-10,15H2,(H,29,30)	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