BDBM50329244 ((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-(3,5-difluorophenyl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270401

SMILES: Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3cc(F)cc(F)c3)C[C@@H]2C1

InChI Key: InChIKey=FCBWQXORDQYHFI-CPLAMXDQSA-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 = 50329244   

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))	BDBM50329244 (((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3cc(F)cc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H35F2N5O3S/c1-17-27(18(2)32-16-31-17)28(36)34-12-20-10-33(11-21(20)13-34)6-5-26(19-7-23(29)9-24(30)8-19)22-14-35(15-22)39(37,38)25-3-4-25/h7-9,16,20-22,25-26H,3-6,10-15H2,1-2H3/t20-,21+,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	63	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))	BDBM50329244 (((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3cc(F)cc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H35F2N5O3S/c1-17-27(18(2)32-16-31-17)28(36)34-12-20-10-33(11-21(20)13-34)6-5-26(19-7-23(29)9-24(30)8-19)22-14-35(15-22)39(37,38)25-3-4-25/h7-9,16,20-22,25-26H,3-6,10-15H2,1-2H3/t20-,21+,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	35	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