BDBM50329242 ((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270209

SMILES: Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3ccccc3)C[C@@H]2C1

InChI Key: InChIKey=NTTROUGKGFNVGR-XZQOPNAISA-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 = 50329242   

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))	BDBM50329242 (((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)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H37N5O3S/c1-19-27(20(2)30-18-29-19)28(34)32-14-22-12-31(13-23(22)15-32)11-10-26(21-6-4-3-5-7-21)24-16-33(17-24)37(35,36)25-8-9-25/h3-7,18,22-26H,8-17H2,1-2H3/t22-,23+,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	313	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))	BDBM50329242 (((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)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H37N5O3S/c1-19-27(20(2)30-18-29-19)28(34)32-14-22-12-31(13-23(22)15-32)11-10-26(21-6-4-3-5-7-21)24-16-33(17-24)37(35,36)25-8-9-25/h3-7,18,22-26H,8-17H2,1-2H3/t22-,23+,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	40	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