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BDBM50381184 CHEMBL2018393

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

InChI Key: InChIKey=USMGPXSMSPNEMF-ISIPKWIHNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381184   
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))
BDBM50381184
PNG
(CHEMBL2018393)
Show SMILES CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1NC(C)(C)C)C(F)(F)F
Show InChI InChI=1/C29H41F3N4O3/c1-7-8-25(37)24(16-33-15-20-10-9-18(2)13-19(20)3)35-26(38)17-34-27(39)22-14-21(29(30,31)32)11-12-23(22)36-28(4,5)6/h9-14,24-25,33,36-37H,7-8,15-17H2,1-6H3,(H,34,39)(H,35,38)/t24-,25-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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))
BDBM50381184
PNG
(CHEMBL2018393)
Show SMILES CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1NC(C)(C)C)C(F)(F)F
Show InChI InChI=1/C29H41F3N4O3/c1-7-8-25(37)24(16-33-15-20-10-9-18(2)13-19(20)3)35-26(38)17-34-27(39)22-14-21(29(30,31)32)11-12-23(22)36-28(4,5)6/h9-14,24-25,33,36-37H,7-8,15-17H2,1-6H3,(H,34,39)(H,35,38)/t24-,25-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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