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BDBM50375741 CHEMBL272331

SMILES: COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)ccc1O

InChI Key: InChIKey=MLYWTGAAWAAAKB-QGZVFWFLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50375741   
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))
BDBM50375741
PNG
(CHEMBL272331)
Show SMILES COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C22H24F3N3O4/c1-32-19-9-14(5-6-18(19)29)12-28-8-7-17(13-28)27-20(30)11-26-21(31)15-3-2-4-16(10-15)22(23,24)25/h2-6,9-10,17,29H,7-8,11-13H2,1H3,(H,26,31)(H,27,30)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Deltagen Research Laboratories (Former CombiChem, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2b in THP1 cells


Bioorg Med Chem Lett 18: 1869-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.015
BindingDB Entry DOI: 10.7270/Q2W95B2Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50375741
PNG
(CHEMBL272331)
Show SMILES COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C22H24F3N3O4/c1-32-19-9-14(5-6-18(19)29)12-28-8-7-17(13-28)27-20(30)11-26-21(31)15-3-2-4-16(10-15)22(23,24)25/h2-6,9-10,17,29H,7-8,11-13H2,1H3,(H,26,31)(H,27,30)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Deltagen Research Laboratories (Former CombiChem, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis


Bioorg Med Chem Lett 18: 1869-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.015
BindingDB Entry DOI: 10.7270/Q2W95B2Q
More data for this
Ligand-Target Pair