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There are 4 purchasable compounds for target: C-C motif chemokine 2

Wt: 291.3
BDBM14027
Purchase
Wt: 247.3
BDBM14029
Purchase
Wt: 307.3
BDBM14031
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Wt: 577.5
BDBM50331728
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 14027,14029,14031,50331728   
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 motif chemokine 2


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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PubMed
n/an/a 6.92E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of MCP1-mediated human THP cell migration


Bioorg Med Chem Lett 21: 97-101 (2010)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 2.63E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of MCP1-mediated human THP cell migration


Bioorg Med Chem Lett 21: 97-101 (2010)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM14031
PNG
(5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...)
Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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PubMed
n/an/a 6.92E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of MCP1-mediated human THP cell migration


Bioorg Med Chem Lett 21: 97-101 (2010)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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PC cid
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n/an/an/a 0.720n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes assessed as association and dissociation of compound by ...


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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PC cid
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n/an/an/a 1.20n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.230n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes assessed as association and dissociation of radioligand


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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PC cid
PC sid
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Article
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n/an/an/a 0.900n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes by saturation binding assay


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair