BDBM50329241 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(isopropylsulfonyl)azetidin-3-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1270101

SMILES: CC(C)S(=O)(=O)N1CC(C1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1

InChI Key: InChIKey=DFPLYLKKYSEABD-MAOIWGCQSA-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 = 50329241   

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))	BDBM50329241 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(is...) Show SMILES CC(C)S(=O)(=O)N1CC(C1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 |r| Show InChI InChI=1S/C28H39N5O3S/c1-19(2)37(35,36)33-16-25(17-33)26(22-8-6-5-7-9-22)10-11-31-12-23-14-32(15-24(23)13-31)28(34)27-20(3)29-18-30-21(27)4/h5-9,18-19,23-26H,10-17H2,1-4H3/t23-,24+,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	93	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))	BDBM50329241 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(is...) Show SMILES CC(C)S(=O)(=O)N1CC(C1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 |r| Show InChI InChI=1S/C28H39N5O3S/c1-19(2)37(35,36)33-16-25(17-33)26(22-8-6-5-7-9-22)10-11-31-12-23-14-32(15-24(23)13-31)28(34)27-20(3)29-18-30-21(27)4/h5-9,18-19,23-26H,10-17H2,1-4H3/t23-,24+,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	23	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