BDBM50385618 CHEMBL2042236

SMILES: OC(=O)CN1C(=O)C2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12

InChI Key: InChIKey=HORZMXGVSURXCK-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50385618   

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))	BDBM50385618 (CHEMBL2042236) Show SMILES OC(=O)CN1C(=O)C2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	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 CHO cells after 90 mins by scintillation proximity assay				ACS Med Chem Lett 2: 644-649 (2011) Article DOI: 10.1021/ml2001196 BindingDB Entry DOI: 10.7270/Q28916X5
					More data for this Ligand-Target Pair