BDBM50243621 (S)-1-(5-phenyl-3-((piperidin-3-ylmethyl)carbamoyl)thiophen-2-yl)urea::CHEMBL471094

SMILES: NC(=O)Nc1sc(cc1C(=O)NC[C@H]1CCCNC1)-c1ccccc1

InChI Key: InChIKey=GJKQWBXWRRIYFO-LBPRGKRZSA-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 = 50243621   

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))	BDBM50243621 ((S)-1-(5-phenyl-3-((piperidin-3-ylmethyl)carbamoyl...) Show SMILES NC(=O)Nc1sc(cc1C(=O)NC[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C18H22N4O2S/c19-18(24)22-17-14(9-15(25-17)13-6-2-1-3-7-13)16(23)21-11-12-5-4-8-20-10-12/h1-3,6-7,9,12,20H,4-5,8,10-11H2,(H,21,23)(H3,19,22,24)/t12-/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	100	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair