BDBM50339755 (S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)piperazin-1-yl)methyl)phenoxy)acetic acid::CHEMBL1689126

SMILES: C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1

InChI Key: InChIKey=GMFBGMFMMAVODH-INIZCTEOSA-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 = 50339755   

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))	BDBM50339755 ((S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)pip...) Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50339755 ((S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)pip...) Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair