Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50334268'   

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 1 (Homo sapiens (Human))	BDBM50334268 (CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1709-1713 (2017) Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6
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