BDBM323147 US9630931, Example 10

SMILES: COc1cc(CCN[C@@H](C)C2CCN(CC2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=GQZBADPIFYPVEP-INIZCTEOSA-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 = 323147   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM323147 (US9630931, Example 10) Show SMILES COc1cc(CCN[C@@H](C)C2CCN(CC2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r| Show InChI InChI=1S/C26H32ClN7O3/c1-16(17-6-9-34(10-7-17)25(35)18-3-4-18)29-8-5-19-11-23(37-2)22(12-21(19)27)32-26(36)33-24-15-30-20(13-28)14-31-24/h11-12,14-18,29H,3-10H2,1-2H3,(H2,31,32,33,36)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...				US Patent US9630931 (2017) BindingDB Entry DOI: 10.7270/Q29C70J1
					More data for this Ligand-Target Pair