BDBM50324590 (R)-N-(2-(4-(Dimethylamino)-4-oxobutylthio)-4-(3-methyl-1Hpyrazol-4-yl)phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL1215452

SMILES: COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCC(=O)N(C)C)-c1cn[nH]c1

InChI Key: InChIKey=SKSMFVZCCJUUTA-JOCHJYFZSA-N

Data: 2 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 2 hits for monomerid = 50324590   

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 2 (Homo sapiens (Human))	BDBM50324590 ((R)-N-(2-(4-(Dimethylamino)-4-oxobutylthio)-4-(3-m...) Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCC(=O)N(C)C)-c1cn[nH]c1 |r| Show InChI InChI=1S/C25H29N5O3S/c1-30(2)24(31)8-9-34-23-12-16(19-14-27-28-15-19)5-7-21(23)29-25(32)22-11-18-10-20(33-3)6-4-17(18)13-26-22/h4-7,10,12,14-15,22,26H,8-9,11,13H2,1-3H3,(H,27,28)(H,29,32)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay				J Med Chem 53: 5727-37 (2010) Article DOI: 10.1021/jm100579r BindingDB Entry DOI: 10.7270/Q2833S8C
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50324590 ((R)-N-(2-(4-(Dimethylamino)-4-oxobutylthio)-4-(3-m...) Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCC(=O)N(C)C)-c1cn[nH]c1 |r| Show InChI InChI=1S/C25H29N5O3S/c1-30(2)24(31)8-9-34-23-12-16(19-14-27-28-15-19)5-7-21(23)29-25(32)22-11-18-10-20(33-3)6-4-17(18)13-26-22/h4-7,10,12,14-15,22,26H,8-9,11,13H2,1-3H3,(H,27,28)(H,29,32)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2				J Med Chem 53: 5727-37 (2010) Article DOI: 10.1021/jm100579r BindingDB Entry DOI: 10.7270/Q2833S8C
					More data for this Ligand-Target Pair