Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM14031'   

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))	BDBM14031 (5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...) Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of ROCK-1				Bioorg Med Chem Lett 21: 97-101 (2010) Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14031 (5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...) Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	150	-39.6	n/a	n/a	n/a	n/a	n/a	7.6	30
Vertex Pharmaceuticals					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 260-8 (2006) Article DOI: 10.1074/jbc.M508847200 BindingDB Entry DOI: 10.7270/Q2JQ0Z80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14031 (5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...) Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	759	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of ROCK-1 by Immobilized metal ion affinity-based fluorescence polarization assay				Bioorg Med Chem Lett 21: 97-101 (2010) Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK
					More data for this Ligand-Target Pair				3D Structure (crystal)