BDBM50324601 (R)-N-(2-(2-(Dimethylamino)ethylthio)-4-(3-methyl-1H-pyrazol-4-yl)phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL1215380

SMILES: COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1C

InChI Key: InChIKey=XZMUBCUUJRFNJF-HSZRJFAPSA-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 = 50324601   

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))	BDBM50324601 ((R)-N-(2-(2-(Dimethylamino)ethylthio)-4-(3-methyl-...) Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1C |r| Show InChI InChI=1S/C25H31N5O2S/c1-16-21(15-27-29-16)17-6-8-22(24(13-17)33-10-9-30(2)3)28-25(31)23-12-19-11-20(32-4)7-5-18(19)14-26-23/h5-8,11,13,15,23,26H,9-10,12,14H2,1-4H3,(H,27,29)(H,28,31)/t23-/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	74	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))	BDBM50324601 ((R)-N-(2-(2-(Dimethylamino)ethylthio)-4-(3-methyl-...) Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1C |r| Show InChI InChI=1S/C25H31N5O2S/c1-16-21(15-27-29-16)17-6-8-22(24(13-17)33-10-9-30(2)3)28-25(31)23-12-19-11-20(32-4)7-5-18(19)14-26-23/h5-8,11,13,15,23,26H,9-10,12,14H2,1-4H3,(H,27,29)(H,28,31)/t23-/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	17	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