BDBM50087122 CHEMBL3426647

SMILES: CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1

InChI Key: InChIKey=ZNUCWEWRKWERKX-UHFFFAOYSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50087122   

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 2 (Homo sapiens (Human))	BDBM50087122 (CHEMBL3426647) Show SMILES CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1 Show InChI InChI=1S/C31H29FN4O4/c1-19(2)40-29(37)14-20-6-10-25(11-7-20)35-30(38)22-5-3-4-21(15-22)26-16-23(8-9-24(26)17-33)31(39)36-28-12-13-34-18-27(28)32/h3-13,15-16,18-19H,14,17,33H2,1-2H3,(H,35,38)(H,34,36,39)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Agoralaan Abis Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...				J Med Chem 58: 4309-24 (2015) Article DOI: 10.1021/acs.jmedchem.5b00308 BindingDB Entry DOI: 10.7270/Q2H41T4R
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50087122 (CHEMBL3426647) Show SMILES CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1 Show InChI InChI=1S/C31H29FN4O4/c1-19(2)40-29(37)14-20-6-10-25(11-7-20)35-30(38)22-5-3-4-21(15-22)26-16-23(8-9-24(26)17-33)31(39)36-28-12-13-34-18-27(28)32/h3-13,15-16,18-19H,14,17,33H2,1-2H3,(H,35,38)(H,34,36,39)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Agoralaan Abis Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...				J Med Chem 58: 4309-24 (2015) Article DOI: 10.1021/acs.jmedchem.5b00308 BindingDB Entry DOI: 10.7270/Q2H41T4R
					More data for this Ligand-Target Pair