BDBM50382687 CHEMBL2023152::US9409868, 16

SMILES: COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1

InChI Key: InChIKey=KJQBGORTXYGZGC-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 = 50382687   

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))	BDBM50382687 (CHEMBL2023152 | US9409868, 16) Show SMILES COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+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))	BDBM50382687 (CHEMBL2023152 | US9409868, 16) Show SMILES COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+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))	BDBM50382687 (CHEMBL2023152 | US9409868, 16) Show SMILES COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	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))	BDBM50382687 (CHEMBL2023152 | US9409868, 16) Show SMILES COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	800	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