BDBM50224504 (E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetamide::2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetamide::CHEMBL235657
SMILES: NC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
InChI Key: InChIKey=YPZQCANHJZFSDX-AATRIKPKSA-N
Data: 3 IC50
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 2 (Homo sapiens (Human)) | BDBM50224504 ((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Inhibition of human CCR2 | J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50224504 ((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Binding affinity at human CCR2 receptor | Bioorg Med Chem Lett 18: 3562-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.010 BindingDB Entry DOI: 10.7270/Q2Q52QGK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50224504 ((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Antagonist activity at human CCR2 | Bioorg Med Chem Lett 21: 7496-501 (2011) Article DOI: 10.1016/j.bmcl.2011.09.113 BindingDB Entry DOI: 10.7270/Q22J6C9M | |||||||||||
More data for this Ligand-Target Pair |