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BDBM50381175 CHEMBL2018384

SMILES: CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F

InChI Key: InChIKey=DNHMKZCXTMRBSW-DQEYMECFSA-N

Data: 2 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 2 hits for monomerid = 50381175   
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))
BDBM50381175
PNG
(CHEMBL2018384)
Show SMILES CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C30H41F3N4O5/c1-7-8-25(38)24(16-34-15-20-10-9-18(2)13-19(20)3)36-26(39)17-35-27(40)22-14-21(30(31,32)33)11-12-23(22)37-28(41)42-29(4,5)6/h9-14,24-25,34,38H,7-8,15-17H2,1-6H3,(H,35,40)(H,36,39)(H,37,41)/t24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCP1 from CCR2 on human PBMC


Bioorg Med Chem Lett 22: 3311-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.007
BindingDB Entry DOI: 10.7270/Q2PN96MB
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50381175
PNG
(CHEMBL2018384)
Show SMILES CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C30H41F3N4O5/c1-7-8-25(38)24(16-34-15-20-10-9-18(2)13-19(20)3)36-26(39)17-35-27(40)22-14-21(30(31,32)33)11-12-23(22)37-28(41)42-29(4,5)6/h9-14,24-25,34,38H,7-8,15-17H2,1-6H3,(H,35,40)(H,36,39)(H,37,41)/t24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3311-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.007
BindingDB Entry DOI: 10.7270/Q2PN96MB
More data for this
Ligand-Target Pair