BDBM50519665 CHEMBL4475912

SMILES: Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

InChI Key: InChIKey=TUXYVYLWAGBIGZ-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 = 50519665   

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 1 (Homo sapiens (Human))	BDBM50519665 (CHEMBL4475912) Show SMILES Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C24H19N3O5/c25-16-6-4-15(5-7-16)24(30)27-18-3-1-2-17(12-18)26-23(29)14-32-19-8-9-20-21(28)10-11-31-22(20)13-19/h1-13H,14,25H2,(H,26,29)(H,27,30)	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	802	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50519665 (CHEMBL4475912) Show SMILES Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C24H19N3O5/c25-16-6-4-15(5-7-16)24(30)27-18-3-1-2-17(12-18)26-23(29)14-32-19-8-9-20-21(28)10-11-31-22(20)13-19/h1-13H,14,25H2,(H,26,29)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	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