BDBM50385622 CHEMBL2042241

SMILES: CCCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12

InChI Key: InChIKey=SSOKTSVCXCLLOM-QFIPXVFZSA-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 = 50385622   

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))	BDBM50385622 (CHEMBL2042241) Show SMILES CCCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C22H18Cl2FN3O5/c1-2-7-28-21(33)27(10-12-8-13(23)3-5-16(12)25)20(32)22(28)15-9-14(24)4-6-17(15)26(19(22)31)11-18(29)30/h3-6,8-9H,2,7,10-11H2,1H3,(H,29,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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