BDBM50329229 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl-3-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1270493

SMILES: Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC(F)(F)F)CC3)c3ccccc3)C[C@@H]2C1

InChI Key: InChIKey=RFNTZDWBOZXHTR-IQCGEYIDSA-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 = 50329229   

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))	BDBM50329229 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC(F)(F)F)CC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H38F3N5O/c1-20-27(21(2)34-19-33-20)28(38)37-16-24-14-36(15-25(24)17-37)13-10-26(22-6-4-3-5-7-22)23-8-11-35(12-9-23)18-29(30,31)32/h3-7,19,23-26H,8-18H2,1-2H3/t24-,25+,26?	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	34	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))	BDBM50329229 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC(F)(F)F)CC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H38F3N5O/c1-20-27(21(2)34-19-33-20)28(38)37-16-24-14-36(15-25(24)17-37)13-10-26(22-6-4-3-5-7-22)23-8-11-35(12-9-23)18-29(30,31)32/h3-7,19,23-26H,8-18H2,1-2H3/t24-,25+,26?	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	17	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