BDBM50315994 CHEMBL1091604::N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phenylsulfonylmethyl)cyclohexylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
SMILES: CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1
InChI Key: InChIKey=KUXXGWVHTMGCMA-FJIJXJHWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | 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 | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in HEK293 cells by FLIPR based flux assay | ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature | ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [125I]MCP-1 from CCR2 in human PMBC | Bioorg Med Chem Lett 22: 1384-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.057 BindingDB Entry DOI: 10.7270/Q2DJ5G2F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | 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 | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human ERG by FLIPR assay | Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | 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 inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.1 M bovine serum albumin | Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.800 | 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 THP1 cells after 30 mins | Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC | ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM | |||||||||||
More data for this Ligand-Target Pair |