BDBM50224496 (S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid::CHEMBL237967
SMILES: OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
InChI Key: InChIKey=CJWPNMMSQZADAG-GFPUREGVSA-N
Data: 5 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)) | BDBM50224496 ((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | 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 expressed in THP1 cells assessed as MCP1-induced calcium flux | 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 (Mus musculus) | BDBM50224496 ((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Displacement of [125I]-mouse MCP1 from CCR2 in mouse peripheral blood monocytes | 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 (Mus musculus) | BDBM50224496 ((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Displacement of [125I]-rat MCP1 from rat CCR2 receptor in monocytes | 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 (Mus musculus) | BDBM50224496 ((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Displacement of [125I]-mouse MCP1 from CCR2 in mouse WEHI265.1 cells | 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)) | BDBM50224496 ((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...) | 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 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 |