BDBM50097167 CHEMBL3581147

SMILES: COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1

InChI Key: InChIKey=IEYJDPAUIUNGSF-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50097167   

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))	BDBM50097167 (CHEMBL3581147) Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1 Show InChI InChI=1S/C18H15ClN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	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))	BDBM50097167 (CHEMBL3581147) Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1 Show InChI InChI=1S/C18H15ClN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)	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	2.20E+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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50097167 (CHEMBL3581147) Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1 Show InChI InChI=1S/C18H15ClN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				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