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Compile Data Set for Download or QSAR

Found 6 hits of ec50 data for polymerid = 50003603,50004632,6463   
Target
(Institution)
LigandTarget
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))
BDBM50236430
PNG
((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1
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Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50153942
PNG
(CHEMBL435499 | N-({[1-(4-Chloro-benzyl)-piperidin-...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H25ClF3N3O2/c24-20-6-4-17(5-7-20)15-30-10-8-16(9-11-30)13-28-21(31)14-29-22(32)18-2-1-3-19(12-18)23(25,26)27/h1-7,12,16H,8-11,13-15H2,(H,28,31)(H,29,32)
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n/an/an/an/a 40n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50409951
PNG
(CHEMBL2096789)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50153938
PNG
(CHEMBL181432 | N-{[1-(4-Chloro-benzyl)-piperidin-3...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CCCN(Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)13-29-10-2-5-19(14-29)28-20(30)12-27-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,31)(H,28,30)
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n/an/an/an/a 610n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50409950
PNG
(CHEMBL2096788)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC[C@H]1CCCN1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)14-29-10-2-5-19(29)12-27-20(30)13-28-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,30)(H,28,31)/t19-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 630n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50409950
PNG
(CHEMBL2096788)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC[C@H]1CCCN1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)14-29-10-2-5-19(29)12-27-20(30)13-28-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,30)(H,28,31)/t19-/m1/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

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Article
PubMed
n/an/an/an/a 810n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)

More data for this
Ligand-Target Pair