BDBM50097178 CHEMBL3581125

SMILES: O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1ccncc1

InChI Key: InChIKey=HWFJCFYNMPILCW-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50097178   

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))	BDBM50097178 (CHEMBL3581125) Show SMILES O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C17H13N3O3S/c21-16(8-11-1-2-14-15(7-11)23-10-22-14)20-17-19-13(9-24-17)12-3-5-18-6-4-12/h1-7,9H,8,10H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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 (PKA) (Homo sapiens (Human))	BDBM50097178 (CHEMBL3581125) Show SMILES O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C17H13N3O3S/c21-16(8-11-1-2-14-15(7-11)23-10-22-14)20-17-19-13(9-24-17)12-3-5-18-6-4-12/h1-7,9H,8,10H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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