BDBM50233341 2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylthio)benzamido)cyclohexylamino)-2-oxoethyl)-5-(trifluoromethyl)benzamide::CHEMBL273083
SMILES: CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F
InChI Key: InChIKey=IBPXYDUJQWENPM-XZOQPEGZSA-N
Data: 8 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)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay | Bioorg Med Chem Lett 19: 3418-22 (2009) Article DOI: 10.1016/j.bmcl.2009.05.041 BindingDB Entry DOI: 10.7270/Q27W6C3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay | Bioorg Med Chem Lett 19: 3418-22 (2009) Article DOI: 10.1016/j.bmcl.2009.05.041 BindingDB Entry DOI: 10.7270/Q27W6C3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis | Bioorg Med Chem Lett 19: 3418-22 (2009) Article DOI: 10.1016/j.bmcl.2009.05.041 BindingDB Entry DOI: 10.7270/Q27W6C3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to wild type CCR2 | J Med Chem 51: 721-4 (2008) Article DOI: 10.1021/jm701488f BindingDB Entry DOI: 10.7270/Q2TX3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of radiolabeled MCP1 from human CCR2 in PBMCs | J Med Chem 51: 721-4 (2008) Article DOI: 10.1021/jm701488f BindingDB Entry DOI: 10.7270/Q2TX3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux | J Med Chem 51: 721-4 (2008) Article DOI: 10.1021/jm701488f BindingDB Entry DOI: 10.7270/Q2TX3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis | J Med Chem 51: 721-4 (2008) Article DOI: 10.1021/jm701488f BindingDB Entry DOI: 10.7270/Q2TX3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50233341 (2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10E+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 |