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SMILES: Oc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1

InChI Key: InChIKey=WBWCAXAHOIVEKO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50097352   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50097352 (CHEMBL3581122) Show SMILES Oc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C16H13N3O2S/c20-14-4-2-1-3-12(14)9-15(21)19-16-18-13(10-22-16)11-5-7-17-8-6-11/h1-8,10,20H,9H2,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...				J Med Chem 58: 5028-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00424 BindingDB Entry DOI: 10.7270/Q2930VXW
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM50097352 (CHEMBL3581122) Show SMILES Oc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C16H13N3O2S/c20-14-4-2-1-3-12(14)9-15(21)19-16-18-13(10-22-16)11-5-7-17-8-6-11/h1-8,10,20H,9H2,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PKAalpha (1 to 351 amino acids) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase/lactate dehydrogenas...				J Med Chem 58: 5028-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00424 BindingDB Entry DOI: 10.7270/Q2930VXW
					More data for this Ligand-Target Pair