BDBM50382696 CHEMBL2023161::US9409868, 27

SMILES: OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1

InChI Key: InChIKey=SRRAUFVOVSRECG-FQEVSTJZSA-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 = 50382696   

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 [1-535] (Homo sapiens (Human))	BDBM50382696 (CHEMBL2023161 | US9409868, 27) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10E+4	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 2 (Homo sapiens (Human))	BDBM50382696 (CHEMBL2023161 | US9409868, 27) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+4	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 1 (Homo sapiens (Human))	BDBM50382696 (CHEMBL2023161 | US9409868, 27) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1	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	3.10E+4	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 [1-552] (Homo sapiens (Human))	BDBM50382696 (CHEMBL2023161 | US9409868, 27) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.29E+4	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