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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.5
BDBM50337613

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50337613
PNG
(CHEMBL1683068 | cis-((1S,3R)-1-isopropyl-3-(3-meth...)
Show SMILES CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22-,23+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting


Bioorg Med Chem Lett 21: 1442-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50337613
PNG
(CHEMBL1683068 | cis-((1S,3R)-1-isopropyl-3-(3-meth...)
Show SMILES CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22-,23+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 204n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor


Bioorg Med Chem Lett 21: 1442-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C
More data for this
Ligand-Target Pair