BDBM50382689 CHEMBL2023153::US9409868, 17

SMILES: Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1

InChI Key: InChIKey=OMZOSZCBUJIGIG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50382689   

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 (ROCK1) (Homo sapiens (Human))	BDBM50382689 (CHEMBL2023153 | US9409868, 17) Show SMILES Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.5	25
H. Lee Moffin Cancer Center and Research Institute, Inc. US Patent					Assay Description A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu...				US Patent US9409868 (2016) BindingDB Entry DOI: 10.7270/Q2X63KT0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382689 (CHEMBL2023153 | US9409868, 17) Show SMILES Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382689 (CHEMBL2023153 | US9409868, 17) Show SMILES Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK2) (Homo sapiens (Human))	BDBM50382689 (CHEMBL2023153 | US9409868, 17) Show SMILES Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.5	25
H. Lee Moffin Cancer Center and Research Institute, Inc. US Patent					Assay Description A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu...				US Patent US9409868 (2016) BindingDB Entry DOI: 10.7270/Q2X63KT0
					More data for this Ligand-Target Pair