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BDBM50255219 (+/-)-benzyl-3-(4-(methylthio)benzamido)-4-(2-(3-(trifluoromethyl)benzamido)acetamido)cyclohexylcarbamate::(+/-)-benzyl3-(4-(methylthio)benzamido)-4-( 2-(3-(trifluoromethyl)benzamido)acetamido)cyclohexylcarbamate::CHEMBL505722

SMILES: CSc1ccc(cc1)C(=O)NC1CC(CCC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(=O)OCc1ccccc1

InChI Key: InChIKey=LAPGFBUSBADRJT-UHFFFAOYNA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50255219   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50255219
PNG
((+/-)-benzyl-3-(4-(methylthio)benzamido)-4-(2-(3-(...)
Show SMILES CSc1ccc(cc1)C(=O)NC1CC(CCC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(=O)OCc1ccccc1
Show InChI InChI=1/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-27-17-24(37-31(43)44-19-20-6-3-2-4-7-20)12-15-26(27)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42)
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as inhibition of MCP1-induced calcium influx by FLIPR


Bioorg Med Chem Lett 19: 597-601 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.062
BindingDB Entry DOI: 10.7270/Q2QF8SR1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50255219
PNG
((+/-)-benzyl-3-(4-(methylthio)benzamido)-4-(2-(3-(...)
Show SMILES CSc1ccc(cc1)C(=O)NC1CC(CCC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(=O)OCc1ccccc1
Show InChI InChI=1/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-27-17-24(37-31(43)44-19-20-6-3-2-4-7-20)12-15-26(27)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42)
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 19: 597-601 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.062
BindingDB Entry DOI: 10.7270/Q2QF8SR1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50255219
PNG
((+/-)-benzyl-3-(4-(methylthio)benzamido)-4-(2-(3-(...)
Show SMILES CSc1ccc(cc1)C(=O)NC1CC(CCC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(=O)OCc1ccccc1
Show InChI InChI=1/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-27-17-24(37-31(43)44-19-20-6-3-2-4-7-20)12-15-26(27)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of CCR3 (unknown origin) at 10 uM


Bioorg Med Chem Lett 19: 597-601 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.062
BindingDB Entry DOI: 10.7270/Q2QF8SR1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50255219
PNG
((+/-)-benzyl-3-(4-(methylthio)benzamido)-4-(2-(3-(...)
Show SMILES CSc1ccc(cc1)C(=O)NC1CC(CCC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(=O)OCc1ccccc1
Show InChI InChI=1/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-27-17-24(37-31(43)44-19-20-6-3-2-4-7-20)12-15-26(27)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis


Bioorg Med Chem Lett 19: 597-601 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.062
BindingDB Entry DOI: 10.7270/Q2QF8SR1
More data for this
Ligand-Target Pair