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SMILES: CSc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12

InChI Key: InChIKey=NNMNFHBCUSAJMN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50192376   

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))	BDBM50192376 (9-hydroxy-4-(4-(methylthio)phenyl)pyrrolo[3,4-c]ca...) Show SMILES CSc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C21H14N2O3S/c1-27-12-5-2-10(3-6-12)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)4-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition at human Chk1 in presence of 4 uM ATP				J Med Chem 49: 4896-911 (2006) Article DOI: 10.1021/jm0512591 BindingDB Entry DOI: 10.7270/Q23778BD
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192376 (9-hydroxy-4-(4-(methylthio)phenyl)pyrrolo[3,4-c]ca...) Show SMILES CSc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C21H14N2O3S/c1-27-12-5-2-10(3-6-12)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)4-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192376 (9-hydroxy-4-(4-(methylthio)phenyl)pyrrolo[3,4-c]ca...) Show SMILES CSc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C21H14N2O3S/c1-27-12-5-2-10(3-6-12)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)4-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 in presence of 9.5 uM ATP				J Med Chem 49: 4896-911 (2006) Article DOI: 10.1021/jm0512591 BindingDB Entry DOI: 10.7270/Q23778BD
					More data for this Ligand-Target Pair