BDBM50329237 1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)piperidin-1-yl)-3-methylbutan-1-one::CHEMBL1271310

SMILES: CC(C)CC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1

InChI Key: InChIKey=RABIKHKBVSVPHT-ULJKERAFSA-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 = 50329237   

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))	BDBM50329237 (1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...) Show SMILES CC(C)CC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 |r| Show InChI InChI=1S/C32H45N5O2/c1-22(2)16-30(38)36-14-10-26(11-15-36)29(25-8-6-5-7-9-25)12-13-35-17-27-19-37(20-28(27)18-35)32(39)31-23(3)33-21-34-24(31)4/h5-9,21-22,26-29H,10-20H2,1-4H3/t27-,28+,29?	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	2.82E+3	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))	BDBM50329237 (1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...) Show SMILES CC(C)CC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 |r| Show InChI InChI=1S/C32H45N5O2/c1-22(2)16-30(38)36-14-10-26(11-15-36)29(25-8-6-5-7-9-25)12-13-35-17-27-19-37(20-28(27)18-35)32(39)31-23(3)33-21-34-24(31)4/h5-9,21-22,26-29H,10-20H2,1-4H3/t27-,28+,29?	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	68	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