BDBM50329227 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-fluorophenyl)-3-(1-(methylsulfonyl)piperidin-4-yl)propyl)hexa hydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::(4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-fluorophenyl)-3-(1-(methylsulfonyl)piperidin-4-yl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1269885

SMILES: Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1

InChI Key: InChIKey=PEJVCEUAQSWXGP-MAOIWGCQSA-N

Data: 4 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 4 hits for monomerid = 50329227   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50329227 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-flu...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H38FN5O3S/c1-19-27(20(2)31-18-30-19)28(35)33-16-23-14-32(15-24(23)17-33)10-9-26(22-5-4-6-25(29)13-22)21-7-11-34(12-8-21)38(3,36)37/h4-6,13,18,21,23-24,26H,7-12,14-17H2,1-3H3/t23-,24+,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human ERG				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))	BDBM50329227 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-flu...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H38FN5O3S/c1-19-27(20(2)31-18-30-19)28(35)33-16-23-14-32(15-24(23)17-33)10-9-26(22-5-4-6-25(29)13-22)21-7-11-34(12-8-21)38(3,36)37/h4-6,13,18,21,23-24,26H,7-12,14-17H2,1-3H3/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	>500	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
C-C motif chemokine 5 (Homo sapiens (Human))	BDBM50329227 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-flu...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H38FN5O3S/c1-19-27(20(2)31-18-30-19)28(35)33-16-23-14-32(15-24(23)17-33)10-9-26(22-5-4-6-25(29)13-22)21-7-11-34(12-8-21)38(3,36)37/h4-6,13,18,21,23-24,26H,7-12,14-17H2,1-3H3/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	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
C-C motif chemokine 5 (Homo sapiens (Human))	BDBM50329227 ((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-flu...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H38FN5O3S/c1-19-27(20(2)31-18-30-19)28(35)33-16-23-14-32(15-24(23)17-33)10-9-26(22-5-4-6-25(29)13-22)21-7-11-34(12-8-21)38(3,36)37/h4-6,13,18,21,23-24,26H,7-12,14-17H2,1-3H3/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	44	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