BDBM50329235 1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)piperidin-1-yl)propan-1-one::CHEMBL1271107

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

InChI Key: InChIKey=MLRSFEBXUGRGTR-ZVBBVAIHSA-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 = 50329235   

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))	BDBM50329235 (1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...) Show SMILES CCC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 |r| Show InChI InChI=1S/C30H41N5O2/c1-4-28(36)34-14-10-24(11-15-34)27(23-8-6-5-7-9-23)12-13-33-16-25-18-35(19-26(25)17-33)30(37)29-21(2)31-20-32-22(29)3/h5-9,20,24-27H,4,10-19H2,1-3H3/t25-,26+,27?	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	>5.00E+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))	BDBM50329235 (1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...) Show SMILES CCC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 |r| Show InChI InChI=1S/C30H41N5O2/c1-4-28(36)34-14-10-24(11-15-34)27(23-8-6-5-7-9-23)12-13-33-16-25-18-35(19-26(25)17-33)30(37)29-21(2)31-20-32-22(29)3/h5-9,20,24-27H,4,10-19H2,1-3H3/t25-,26+,27?	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	32	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