BDBM50329238 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl-3-(1-(2,2,2-trifluoroethyl)azetidin-3-yl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1271418

SMILES: Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(CC(F)(F)F)C3)c3ccccc3)C[C@@H]2C1

InChI Key: InChIKey=KHJSAQHDNAQQMO-RIKCKFAHSA-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 = 50329238   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50329238 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(CC(F)(F)F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C27H34F3N5O/c1-18-25(19(2)32-17-31-18)26(36)35-14-21-10-33(11-22(21)15-35)9-8-24(20-6-4-3-5-7-20)23-12-34(13-23)16-27(28,29)30/h3-7,17,21-24H,8-16H2,1-2H3/t21-,22+,24?	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of CCR5 by cell-cell fusion inhibition assay				Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F
					More data for this Ligand-Target Pair
C-C motif chemokine 5 (Homo sapiens (Human))	BDBM50329238 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(CC(F)(F)F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C27H34F3N5O/c1-18-25(19(2)32-17-31-18)26(36)35-14-21-10-33(11-22(21)15-35)9-8-24(20-6-4-3-5-7-20)23-12-34(13-23)16-27(28,29)30/h3-7,17,21-24H,8-16H2,1-2H3/t21-,22+,24?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of RANTES				Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F
					More data for this Ligand-Target Pair