BDBM50239941 (S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hydroxyethyl)piperidin-1-yl)-3-(3,4,5-trifluorophenyl)prop-2-en-1-one::CHEMBL254355
SMILES: OC[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
InChI Key: InChIKey=KXZARDUIYCLEFF-IQKOXAACSA-N
Data: 4 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)) | BDBM50239941 ((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yangji Chemicals Curated by ChEMBL | Assay Description Displacement of [125I]MCP1 from human CCR2B receptor expressed in HEK293-EBNA cells | Bioorg Med Chem Lett 20: 2099-102 (2010) Article DOI: 10.1016/j.bmcl.2010.02.072 BindingDB Entry DOI: 10.7270/Q2JQ1169 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50239941 ((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.5 | 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 CCR2 receptor expressed in THP1 cells assessed as MCP-1-induced calcium flux by chemotoxis assay | 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)) | BDBM50239941 ((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | 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)) | BDBM50239941 ((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40 | 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 |