Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50005625'   

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))	BDBM50005625 (CHEMBL2024653) Show SMILES NCCCC[C@@H](NC(=O)CCCNC(=O)CNCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12)C(=O)NCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=C)C(N)=O |r| Show InChI InChI=1S/C44H74N16O9S/c1-30(46)52-21-8-13-33(41(47)65)60-43(67)35(14-9-23-56-44(48)49)59-37(61)16-3-2-6-20-55-42(66)34(12-4-5-19-45)58-38(62)17-10-22-53-39(63)28-51-29-40(64)54-25-26-57-70(68,69)36-15-7-11-31-27-50-24-18-32(31)36/h7,11,15,18,24,27,33-35,51-52,57H,1-6,8-10,12-14,16-17,19-23,25-26,28-29,45-46H2,(H2,47,65)(H,53,63)(H,54,64)(H,55,66)(H,58,62)(H,59,61)(H,60,67)(H4,48,49,56)/t33-,34-,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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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