BDBM307778 N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-yl]pyridin-2-yl}butane-1,4-diamine::US9650358, Example 74

SMILES: NCCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1

InChI Key: InChIKey=CEXPQXIBBYMKQK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 307778   

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))	BDBM307778 ( N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol...) Show SMILES NCCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 Show InChI InChI=1S/C23H23ClFN5/c24-20-13-28-23(27-9-2-1-8-26)12-19(20)17-6-7-21-22(11-17)30(15-29-21)14-16-4-3-5-18(25)10-16/h3-7,10-13,15H,1-2,8-9,14,26H2,(H,27,28)	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	17	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