BindingDB logo
myBDB logout

BDBM50363430 CHEMBL1944776

SMILES: N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F

InChI Key: InChIKey=FVIPKDVNUOEKRA-ZWCUEREDSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50363430   
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))
BDBM50363430
PNG
(CHEMBL1944776)
Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human THP1 cells


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
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50363430
PNG
(CHEMBL1944776)
Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from CCR5


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
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50363430
PNG
(CHEMBL1944776)
Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/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
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50363430
PNG
(CHEMBL1944776)
Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 by monocyte transmigration assay in pesence of 0.5% BSA


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
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50363430
PNG
(CHEMBL1944776)
Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 by monocyte transmigration assay in pesence of 0.1% BSA


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