BDBM50379586 CHEMBL2012840

SMILES: O=C(N[C@H]1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1

InChI Key: InChIKey=BYFPSTGHLZSFLJ-AWEZNQCLSA-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 = 50379586   

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))	BDBM50379586 (CHEMBL2012840) Show SMILES O=C(N[C@H]1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 |r| Show InChI InChI=1S/C20H19N5O2S/c26-19(22-14-2-1-6-21-10-14)16-9-18-23-24-20(27)25(18)17-8-12(3-4-15(16)17)13-5-7-28-11-13/h3-5,7-9,11,14,21H,1-2,6,10H2,(H,22,26)(H,24,27)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair