BDBM50519684 CHEMBL4453948

SMILES: O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1

InChI Key: InChIKey=SMFMKNYLBVEQGI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50519684   

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))	BDBM50519684 (CHEMBL4453948) Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C25H17N3O5/c26-14-16-4-6-17(7-5-16)25(31)28-19-3-1-2-18(12-19)27-24(30)15-33-20-8-9-21-22(29)10-11-32-23(21)13-20/h1-13H,15H2,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...				J Med Chem 62: 10691-10710 (2019) Article DOI: 10.1021/acs.jmedchem.9b01143
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50519684 (CHEMBL4453948) Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C25H17N3O5/c26-14-16-4-6-17(7-5-16)25(31)28-19-3-1-2-18(12-19)27-24(30)15-33-20-8-9-21-22(29)10-11-32-23(21)13-20/h1-13H,15H2,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...				J Med Chem 62: 10691-10710 (2019) Article DOI: 10.1021/acs.jmedchem.9b01143
					More data for this Ligand-Target Pair