BDBM50197922 CHEMBL224361::N1-cyclopropyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamine::anti-N1-cyclopropyl-N4-(isoquinolin-5-yl)cyclohexane-1,4-diamine

SMILES: C1CC1N[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12

InChI Key: InChIKey=VWRPPJRHTCKDIP-WKILWMFISA-N

Data: 1 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 1 hit for monomerid = 50197922   

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/Rho-kinase (ROCK I) (Homo sapiens (Human))	BDBM50197922 (CHEMBL224361 | N1-cyclopropyl-N4-(5-isoquinolyl)-1...) Show SMILES C1CC1N[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:7.11,wD:4.4,(33.09,-14.61,;34.63,-14.61,;33.86,-13.28,;33.85,-11.74,;32.52,-10.97,;32.52,-9.43,;31.18,-8.65,;29.85,-9.44,;29.85,-10.98,;31.18,-11.74,;28.51,-8.67,;27.18,-9.45,;27.19,-11,;25.85,-11.77,;24.51,-11,;24.52,-9.46,;23.19,-8.7,;23.18,-7.17,;24.51,-6.39,;25.84,-7.16,;25.84,-8.69,)| Show InChI InChI=1S/C18H23N3/c1-2-13-12-19-11-10-17(13)18(3-1)21-16-8-6-15(7-9-16)20-14-4-5-14/h1-3,10-12,14-16,20-21H,4-9H2/t15-,16-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 1022-33 (2006) Article DOI: 10.1016/j.bmc.2006.10.028 BindingDB Entry DOI: 10.7270/Q2XS5V1M
					More data for this Ligand-Target Pair