BDBM50363933 CHEMBL1951560

SMILES: CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1

InChI Key: InChIKey=IIMAFQLKHKJWMF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50363933   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50363933 (CHEMBL1951560) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-21(37-22-10-8-16(14-24(31)32)13-23(22)36-2)20(15-17)30-38(34,35)25-18(27)6-5-7-19(25)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50363933 (CHEMBL1951560) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-21(37-22-10-8-16(14-24(31)32)13-23(22)36-2)20(15-17)30-38(34,35)25-18(27)6-5-7-19(25)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50363933 (CHEMBL1951560) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-21(37-22-10-8-16(14-24(31)32)13-23(22)36-2)20(15-17)30-38(34,35)25-18(27)6-5-7-19(25)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair