BDBM50329245 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(methylsulfonyl)azetidin-3-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1270494

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

InChI Key: InChIKey=DBSLHCAGEQCJEH-RIKCKFAHSA-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 = 50329245   

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))	BDBM50329245 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(me...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C26H35N5O3S/c1-18-25(19(2)28-17-27-18)26(32)30-13-21-11-29(12-22(21)14-30)10-9-24(20-7-5-4-6-8-20)23-15-31(16-23)35(3,33)34/h4-8,17,21-24H,9-16H2,1-3H3/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	52	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