Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50005627'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50005627 (CHEMBL2024650) Show SMILES NCCCC[C@@H](NC(=O)CNCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12)C(=O)NCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C39H66N16O8S/c40-16-4-3-10-29(54-34(58)25-47-24-33(57)48-21-22-52-64(62,63)31-13-6-9-26-23-46-20-15-27(26)31)36(60)49-17-5-1-2-14-32(56)53-30(12-8-19-51-39(44)45)37(61)55-28(35(41)59)11-7-18-50-38(42)43/h6,9,13,15,20,23,28-30,47,52H,1-5,7-8,10-12,14,16-19,21-22,24-25,40H2,(H2,41,59)(H,48,57)(H,49,60)(H,53,56)(H,54,58)(H,55,61)(H4,42,43,50)(H4,44,45,51)/t28-,29-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
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