BDBM50329252 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-fluorophenyl)-3-(1-(phenylsulfonyl)piperidin-4-yl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1269385

SMILES: Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(=O)(=O)c3ccccc3)c3cccc(F)c3)C[C@@H]2C1

InChI Key: InChIKey=KJFNDKFSVSMVDV-SWRQNJEFSA-N

Data: 1 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 1 hit for monomerid = 50329252   

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 motif chemokine 5 (Homo sapiens (Human))	BDBM50329252 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-flu...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(=O)(=O)c3ccccc3)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C33H40FN5O3S/c1-23-32(24(2)36-22-35-23)33(40)38-20-27-18-37(19-28(27)21-38)14-13-31(26-7-6-8-29(34)17-26)25-11-15-39(16-12-25)43(41,42)30-9-4-3-5-10-30/h3-10,17,22,25,27-28,31H,11-16,18-21H2,1-2H3/t27-,28+,31?	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	38	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