BDBM50319631 CHEMBL1083134::trans-4-[(1R)-1-Aminoethyl]-N-4-pyridinylcyclohexanecar boxamide dihydrochloride

SMILES: C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1

InChI Key: InChIKey=IYOZTVGMEWJPKR-IJLUTSLNSA-N

Data: 1 KI

PDB links: 5 PDB IDs match this monomer.

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 = 50319631   

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 (Homo sapiens (Human))	BDBM50319631 (CHEMBL1083134 | trans-4-[(1R)-1-Aminoethyl]-N-4-py...) Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:1.1,3.2,wD:6.9,(33.48,-24.28,;32.15,-25.06,;32.16,-26.6,;30.81,-24.3,;29.48,-25.08,;28.15,-24.32,;28.13,-22.78,;29.46,-22.01,;30.8,-22.77,;26.79,-22.02,;26.78,-20.49,;25.47,-22.81,;24.13,-22.05,;24.12,-20.5,;22.78,-19.74,;21.45,-20.53,;21.46,-22.07,;22.8,-22.83,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of p160ROCK				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
					More data for this Ligand-Target Pair				3D Structure (crystal)