BDBM94709 4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one::4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one::4-(azepane-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1-one::4-(azepane-1-carbonyl)-6,7-dimethoxy-2-p-phenetyl-isocarbostyril::4-[1-azepanyl(oxo)methyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-isoquinolinone::MLS000086366::SMR000021868::cid_3237252

SMILES: CCOc1ccc(cc1)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O

InChI Key: InChIKey=HAIWXHVWIBAESO-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 94709   

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
Lysophosphatidic acid receptor 5 (Rattus norvegicus)	BDBM94709 (4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dim...) Show SMILES CCOc1ccc(cc1)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H30N2O5/c1-4-33-19-11-9-18(10-12-19)28-17-22(25(29)27-13-7-5-6-8-14-27)20-15-23(31-2)24(32-3)16-21(20)26(28)30/h9-12,15-17H,4-8,13-14H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
LARGE (Homo sapiens (Human))	BDBM94709 (4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dim...) Show SMILES CCOc1ccc(cc1)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H30N2O5/c1-4-33-19-11-9-18(10-12-19)28-17-22(25(29)27-13-7-5-6-8-14-27)20-15-23(31-2)24(32-3)16-21(20)26(28)30/h9-12,15-17H,4-8,13-14H2,1-3H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2VT1QQ4
					More data for this Ligand-Target Pair