Found 54 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191801
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:35| Show InChI InChI=1S/C31H34F6N2O/c1-20-19-39(13-11-29(20)10-8-23-4-2-3-5-27(23)29)12-9-24(14-21-6-7-21)28(40)38-18-22-15-25(30(32,33)34)17-26(16-22)31(35,36)37/h2-5,8,10,15-17,20-21,24H,6-7,9,11-14,18-19H2,1H3,(H,38,40)/t20-,24+,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Activity at CCR2b by calcium flux based FLIPR assay in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191818
((2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-cyclopro...)Show SMILES C[C@H]1CN(CC[C@@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:34| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(13-11-28(19)10-8-22-4-2-3-5-26(22)28)12-9-25(21-6-7-21)27(39)37-17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h2-5,8,10,14-16,19,21,25H,6-7,9,11-13,17-18H2,1H3,(H,37,39)/t19-,25-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191818
((2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-cyclopro...)Show SMILES C[C@H]1CN(CC[C@@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:34| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(13-11-28(19)10-8-22-4-2-3-5-26(22)28)12-9-25(21-6-7-21)27(39)37-17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h2-5,8,10,14-16,19,21,25H,6-7,9,11-13,17-18H2,1H3,(H,37,39)/t19-,25-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Activity at CCR2b by calcium flux based FLIPR assay in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191801
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:35| Show InChI InChI=1S/C31H34F6N2O/c1-20-19-39(13-11-29(20)10-8-23-4-2-3-5-27(23)29)12-9-24(14-21-6-7-21)28(40)38-18-22-15-25(30(32,33)34)17-26(16-22)31(35,36)37/h2-5,8,10,15-17,20-21,24H,6-7,9,11-14,18-19H2,1H3,(H,38,40)/t20-,24+,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191802
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@@H](C2CCC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:35| Show InChI InChI=1S/C31H34F6N2O/c1-20-19-39(14-12-29(20)11-9-23-5-2-3-8-27(23)29)13-10-26(22-6-4-7-22)28(40)38-18-21-15-24(30(32,33)34)17-25(16-21)31(35,36)37/h2-3,5,8-9,11,15-17,20,22,26H,4,6-7,10,12-14,18-19H2,1H3,(H,38,40)/t20-,26-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Activity at CCR2b by calcium flux based FLIPR assay in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191802
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@@H](C2CCC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:35| Show InChI InChI=1S/C31H34F6N2O/c1-20-19-39(14-12-29(20)11-9-23-5-2-3-8-27(23)29)13-10-26(22-6-4-7-22)28(40)38-18-21-15-24(30(32,33)34)17-25(16-21)31(35,36)37/h2-3,5,8-9,11,15-17,20,22,26H,4,6-7,10,12-14,18-19H2,1H3,(H,38,40)/t20-,26-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191823
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:34| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(13-11-28(19)10-8-22-4-2-3-5-26(22)28)12-9-25(21-6-7-21)27(39)37-17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h2-5,8,10,14-16,19,21,25H,6-7,9,11-13,17-18H2,1H3,(H,37,39)/t19-,25+,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191818
((2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-cyclopro...)Show SMILES C[C@H]1CN(CC[C@@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:34| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(13-11-28(19)10-8-22-4-2-3-5-26(22)28)12-9-25(21-6-7-21)27(39)37-17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h2-5,8,10,14-16,19,21,25H,6-7,9,11-13,17-18H2,1H3,(H,37,39)/t19-,25-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191800
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC3(CC2)C=Cc2ccccc32)C2CC2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C29H30F6N2O/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)8-12-37-13-10-27(11-14-37)9-7-21-3-1-2-4-25(21)27/h1-4,7,9,15-17,20,24H,5-6,8,10-14,18H2,(H,36,38)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191801
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:35| Show InChI InChI=1S/C31H34F6N2O/c1-20-19-39(13-11-29(20)10-8-23-4-2-3-5-27(23)29)12-9-24(14-21-6-7-21)28(40)38-18-22-15-25(30(32,33)34)17-26(16-22)31(35,36)37/h2-5,8,10,15-17,20-21,24H,6-7,9,11-14,18-19H2,1H3,(H,38,40)/t20-,24+,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191802
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@@H](C2CCC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:35| Show InChI InChI=1S/C31H34F6N2O/c1-20-19-39(14-12-29(20)11-9-23-5-2-3-8-27(23)29)13-10-26(22-6-4-7-22)28(40)38-18-21-15-24(30(32,33)34)17-25(16-21)31(35,36)37/h2-3,5,8-9,11,15-17,20,22,26H,4,6-7,10,12-14,18-19H2,1H3,(H,38,40)/t20-,26-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191812
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:11| Show InChI InChI=1S/C27H28F6N2O/c1-18(7-11-35-12-9-25(10-13-35)8-6-20-4-2-3-5-23(20)25)24(36)34-17-19-14-21(26(28,29)30)16-22(15-19)27(31,32)33/h2-6,8,14-16,18H,7,9-13,17H2,1H3,(H,34,36)/t18-/m1/s1 | PDB
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191803
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC3(CC2)C=Cc2ccccc32)CC=C)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C29H30F6N2O/c1-2-5-22(9-13-37-14-11-27(12-15-37)10-8-21-6-3-4-7-25(21)27)26(38)36-19-20-16-23(28(30,31)32)18-24(17-20)29(33,34)35/h2-4,6-8,10,16-18,22H,1,5,9,11-15,19H2,(H,36,38)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191798
(CHEMBL215654 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)C2CC2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C29H30F6N2O/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)8-12-37-13-10-27(11-14-37)9-7-21-3-1-2-4-25(21)27/h1-4,7,9,15-17,20,24H,5-6,8,10-14,18H2,(H,36,38) | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191805
((R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phe...)Show SMILES CCC[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N2O/c1-2-6-22(11-14-35-12-9-21(10-13-35)20-7-4-3-5-8-20)25(36)34-18-19-15-23(26(28,29)30)17-24(16-19)27(31,32)33/h3-5,7-8,15-17,21-22H,2,6,9-14,18H2,1H3,(H,34,36)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191820
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-...)Show SMILES CC(C)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C29H32F6N2O/c1-19(2)24(8-12-37-13-10-27(11-14-37)9-7-21-5-3-4-6-25(21)27)26(38)36-18-20-15-22(28(30,31)32)17-23(16-20)29(33,34)35/h3-7,9,15-17,19,24H,8,10-14,18H2,1-2H3,(H,36,38)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191815
(CHEMBL214825 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CC(O)C(CCN1CC[C@@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:10| Show InChI InChI=1S/C29H32F6N2O2/c1-18-17-37(12-10-27(18)9-7-21-5-3-4-6-25(21)27)11-8-24(19(2)38)26(39)36-16-20-13-22(28(30,31)32)15-23(14-20)29(33,34)35/h3-7,9,13-15,18-19,24,38H,8,10-12,16-17H2,1-2H3,(H,36,39)/t18-,19?,24?,27-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191814
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CC[C@@]11C=Cc2ccccc12 |c:38| Show InChI InChI=1S/C33H31F7N2O/c1-21-20-42(15-13-31(21)12-10-24-4-2-3-5-29(24)31)14-11-28(23-6-8-27(34)9-7-23)30(43)41-19-22-16-25(32(35,36)37)18-26(17-22)33(38,39)40/h2-10,12,16-18,21,28H,11,13-15,19-20H2,1H3,(H,41,43)/t21-,28-,31-/m0/s1 | PDB
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191798
(CHEMBL215654 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)C2CC2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C29H30F6N2O/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)8-12-37-13-10-27(11-14-37)9-7-21-3-1-2-4-25(21)27/h1-4,7,9,15-17,20,24H,5-6,8,10-14,18H2,(H,36,38) | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191807
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-...)Show SMILES CC(C)[C@@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C29H32F6N2O/c1-19(2)24(8-12-37-13-10-27(11-14-37)9-7-21-5-3-4-6-25(21)27)26(38)36-18-20-15-22(28(30,31)32)17-23(16-20)29(33,34)35/h3-7,9,15-17,19,24H,8,10-14,18H2,1-2H3,(H,36,38)/t24-/m1/s1 | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191817
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cycloprop...)Show SMILES Fc1ccc(cc1)C1CCN(CC[C@@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F7N2O/c28-23-5-3-18(4-6-23)19-7-10-36(11-8-19)12-9-24(20-1-2-20)25(37)35-16-17-13-21(26(29,30)31)15-22(14-17)27(32,33)34/h3-6,13-15,19-20,24H,1-2,7-12,16H2,(H,35,37)/t24-/m0/s1 | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191821
(CHEMBL214747 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)C2CCCCC2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C32H36F6N2O/c33-31(34,35)25-18-22(19-26(20-25)32(36,37)38)21-39-29(41)27(23-6-2-1-3-7-23)11-15-40-16-13-30(14-17-40)12-10-24-8-4-5-9-28(24)30/h4-5,8-10,12,18-20,23,27H,1-3,6-7,11,13-17,21H2,(H,39,41) | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191799
(2-(1-acetylpiperidin-3-yl)-N-{[3,5-bis(trifluorome...)Show SMILES CC(=O)N1CCCC(C1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:20| Show InChI InChI=1S/C33H37F6N3O2/c1-22(43)42-13-4-6-25(21-42)28(9-14-41-15-11-31(12-16-41)10-8-24-5-2-3-7-29(24)31)30(44)40-20-23-17-26(32(34,35)36)19-27(18-23)33(37,38)39/h2-3,5,7-8,10,17-19,25,28H,4,6,9,11-16,20-21H2,1H3,(H,40,44) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191813
((2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-(4-fluor...)Show SMILES Fc1ccc(cc1)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:18| Show InChI InChI=1S/C32H29F7N2O/c33-26-7-5-22(6-8-26)27(10-14-41-15-12-30(13-16-41)11-9-23-3-1-2-4-28(23)30)29(42)40-20-21-17-24(31(34,35)36)19-25(18-21)32(37,38)39/h1-9,11,17-19,27H,10,12-16,20H2,(H,40,42)/t27-/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191823
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H]1CN(CC[C@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:34| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(13-11-28(19)10-8-22-4-2-3-5-26(22)28)12-9-25(21-6-7-21)27(39)37-17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h2-5,8,10,14-16,19,21,25H,6-7,9,11-13,17-18H2,1H3,(H,37,39)/t19-,25+,28-/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191806
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:11| Show InChI InChI=1S/C27H28F6N2O/c1-18(7-11-35-12-9-25(10-13-35)8-6-20-4-2-3-5-23(20)25)24(36)34-17-19-14-21(26(28,29)30)16-22(15-19)27(31,32)33/h2-6,8,14-16,18H,7,9-13,17H2,1H3,(H,34,36)/t18-/m0/s1 | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191816
(CHEMBL409162 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCCC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:30| Show InChI InChI=1S/C27H28F6N2O/c1-18-17-35(12-10-25(18)9-8-20-5-2-3-6-23(20)25)11-4-7-24(36)34-16-19-13-21(26(28,29)30)15-22(14-19)27(31,32)33/h2-3,5-6,8-9,13-15,18H,4,7,10-12,16-17H2,1H3,(H,34,36)/t18-,25-/m0/s1 | PDB
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191800
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC3(CC2)C=Cc2ccccc32)C2CC2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C29H30F6N2O/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)8-12-37-13-10-27(11-14-37)9-7-21-3-1-2-4-25(21)27/h1-4,7,9,15-17,20,24H,5-6,8,10-14,18H2,(H,36,38)/t24-/m0/s1 | PDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191811
(CHEMBL211923 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)NS(=O)(=O)C(F)(F)F)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C27H26F9N3O3S/c28-25(29,30)19-13-17(14-20(15-19)26(31,32)33)16-37-23(40)22(38-43(41,42)27(34,35)36)6-10-39-11-8-24(9-12-39)7-5-18-3-1-2-4-21(18)24/h1-5,7,13-15,22,38H,6,8-12,16H2,(H,37,40) | PDB
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| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191805
((R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phe...)Show SMILES CCC[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N2O/c1-2-6-22(11-14-35-12-9-21(10-13-35)20-7-4-3-5-8-20)25(36)34-18-19-15-23(26(28,29)30)17-24(16-19)27(31,32)33/h3-5,7-8,15-17,21-22H,2,6,9-14,18H2,1H3,(H,34,36)/t22-/m1/s1 | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191808
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cycloprop...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC(CC2)c2ccccc2)C2CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O/c28-26(29,30)22-14-18(15-23(16-22)27(31,32)33)17-34-25(36)24(21-6-7-21)10-13-35-11-8-20(9-12-35)19-4-2-1-3-5-19/h1-5,14-16,20-21,24H,6-13,17H2,(H,34,36)/t24-/m0/s1 | PDB
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| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191821
(CHEMBL214747 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)C2CCCCC2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C32H36F6N2O/c33-31(34,35)25-18-22(19-26(20-25)32(36,37)38)21-39-29(41)27(23-6-2-1-3-7-23)11-15-40-16-13-30(14-17-40)12-10-24-8-4-5-9-28(24)30/h4-5,8-10,12,18-20,23,27H,1-3,6-7,11,13-17,21H2,(H,39,41) | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191816
(CHEMBL409162 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCCC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12 |c:30| Show InChI InChI=1S/C27H28F6N2O/c1-18-17-35(12-10-25(18)9-8-20-5-2-3-6-23(20)25)11-4-7-24(36)34-16-19-13-21(26(28,29)30)15-22(14-19)27(31,32)33/h2-3,5-6,8-9,13-15,18H,4,7,10-12,16-17H2,1H3,(H,34,36)/t18-,25-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50187053
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)Show SMILES Fc1ccc(cc1)[C@H](NCCN1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F7N3O/c25-20-6-4-17(5-7-20)21(32-8-11-34-9-2-1-3-10-34)22(35)33-15-16-12-18(23(26,27)28)14-19(13-16)24(29,30)31/h4-7,12-14,21,32H,1-3,8-11,15H2,(H,33,35)/t21-/m0/s1 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191803
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC3(CC2)C=Cc2ccccc32)CC=C)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C29H30F6N2O/c1-2-5-22(9-13-37-14-11-27(12-15-37)10-8-21-6-3-4-7-25(21)27)26(38)36-19-20-16-23(28(30,31)32)18-24(17-20)29(33,34)35/h2-4,6-8,10,16-18,22H,1,5,9,11-15,19H2,(H,36,38)/t22-/m1/s1 | PDB
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| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191820
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-...)Show SMILES CC(C)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C29H32F6N2O/c1-19(2)24(8-12-37-13-10-27(11-14-37)9-7-21-5-3-4-6-25(21)27)26(38)36-18-20-15-22(28(30,31)32)17-23(16-20)29(33,34)35/h3-7,9,15-17,19,24H,8,10-14,18H2,1-2H3,(H,36,38)/t24-/m0/s1 | PDB
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| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191809
((R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phe...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC(CC2)c2ccccc2)CC=C)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O/c1-2-6-22(11-14-35-12-9-21(10-13-35)20-7-4-3-5-8-20)25(36)34-18-19-15-23(26(28,29)30)17-24(16-19)27(31,32)33/h2-5,7-8,15-17,21-22H,1,6,9-14,18H2,(H,34,36)/t22-/m1/s1 | PDB
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| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191812
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:11| Show InChI InChI=1S/C27H28F6N2O/c1-18(7-11-35-12-9-25(10-13-35)8-6-20-4-2-3-5-23(20)25)24(36)34-17-19-14-21(26(28,29)30)16-22(15-19)27(31,32)33/h2-6,8,14-16,18H,7,9-13,17H2,1H3,(H,34,36)/t18-/m1/s1 | PDB
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| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191819
(2-benzyl-N-{[3,5-bis(trifluoromethyl)phenyl]methyl...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)Cc2ccccc2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C33H32F6N2O/c34-32(35,36)27-19-24(20-28(21-27)33(37,38)39)22-40-30(42)26(18-23-6-2-1-3-7-23)11-15-41-16-13-31(14-17-41)12-10-25-8-4-5-9-29(25)31/h1-10,12,19-21,26H,11,13-18,22H2,(H,40,42) | PDB
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| n/a | n/a | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191804
(CHEMBL212542 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CS(=O)(=O)NC(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:15| Show InChI InChI=1S/C27H29F6N3O3S/c1-40(38,39)35-23(7-11-36-12-9-25(10-13-36)8-6-19-4-2-3-5-22(19)25)24(37)34-17-18-14-20(26(28,29)30)16-21(15-18)27(31,32)33/h2-6,8,14-16,23,35H,7,9-13,17H2,1H3,(H,34,37) | PDB
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| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191817
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cycloprop...)Show SMILES Fc1ccc(cc1)C1CCN(CC[C@@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F7N2O/c28-23-5-3-18(4-6-23)19-7-10-36(11-8-19)12-9-24(20-1-2-20)25(37)35-16-17-13-21(26(29,30)31)15-22(14-17)27(32,33)34/h3-6,13-15,19-20,24H,1-2,7-12,16H2,(H,35,37)/t24-/m0/s1 | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191808
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cycloprop...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC(CC2)c2ccccc2)C2CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O/c28-26(29,30)22-14-18(15-23(16-22)27(31,32)33)17-34-25(36)24(21-6-7-21)10-13-35-11-8-20(9-12-35)19-4-2-1-3-5-19/h1-5,14-16,20-21,24H,6-13,17H2,(H,34,36)/t24-/m0/s1 | PDB
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| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191819
(2-benzyl-N-{[3,5-bis(trifluoromethyl)phenyl]methyl...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)Cc2ccccc2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C33H32F6N2O/c34-32(35,36)27-19-24(20-28(21-27)33(37,38)39)22-40-30(42)26(18-23-6-2-1-3-7-23)11-15-41-16-13-31(14-17-41)12-10-25-8-4-5-9-29(25)31/h1-10,12,19-21,26H,11,13-18,22H2,(H,40,42) | PDB
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| n/a | n/a | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191807
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-...)Show SMILES CC(C)[C@@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C29H32F6N2O/c1-19(2)24(8-12-37-13-10-27(11-14-37)9-7-21-5-3-4-6-25(21)27)26(38)36-18-20-15-22(28(30,31)32)17-23(16-20)29(33,34)35/h3-7,9,15-17,19,24H,8,10-14,18H2,1-2H3,(H,36,38)/t24-/m1/s1 | PDB
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| n/a | n/a | 349 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191822
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-...)Show SMILES CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CC[C@@]11C=Cc2ccccc12 |c:39| Show InChI InChI=1S/C34H33F7N2O/c1-2-25-21-43(16-14-32(25)13-11-24-5-3-4-6-30(24)32)15-12-29(23-7-9-28(35)10-8-23)31(44)42-20-22-17-26(33(36,37)38)19-27(18-22)34(39,40)41/h3-11,13,17-19,25,29H,2,12,14-16,20-21H2,1H3,(H,42,44)/t25-,29-,32-/m0/s1 | PDB
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| n/a | n/a | 437 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191825
(CHEMBL377819 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(O)C(CCN1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H29F7N2O2/c1-16(36)23(8-11-35-9-6-19(7-10-35)18-2-4-22(27)5-3-18)24(37)34-15-17-12-20(25(28,29)30)14-21(13-17)26(31,32)33/h2-5,12-14,16,19,23,36H,6-11,15H2,1H3,(H,34,37) | PDB
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| n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191827
(CHEMBL378258 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)NC(=O)C2CNC(=O)N2)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C30H31F6N5O3/c31-29(32,33)20-13-18(14-21(15-20)30(34,35)36)16-37-25(42)23(39-26(43)24-17-38-27(44)40-24)6-10-41-11-8-28(9-12-41)7-5-19-3-1-2-4-22(19)28/h1-5,7,13-15,23-24H,6,8-12,16-17H2,(H,37,42)(H,39,43)(H2,38,40,44) | PDB
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| n/a | n/a | 525 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191826
(CHEMBL378449 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES FC(F)(F)c1cc(CNC(=O)CCCN2CCC3(CC2)C=Cc2ccccc32)cc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C26H26F6N2O/c27-25(28,29)20-14-18(15-21(16-20)26(30,31)32)17-33-23(35)6-3-11-34-12-9-24(10-13-34)8-7-19-4-1-2-5-22(19)24/h1-2,4-5,7-8,14-16H,3,6,9-13,17H2,(H,33,35) | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191806
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES C[C@@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:11| Show InChI InChI=1S/C27H28F6N2O/c1-18(7-11-35-12-9-25(10-13-35)8-6-20-4-2-3-5-23(20)25)24(36)34-17-19-14-21(26(28,29)30)16-22(15-19)27(31,32)33/h2-6,8,14-16,18H,7,9-13,17H2,1H3,(H,34,36)/t18-/m0/s1 | PDB
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PubMed
| n/a | n/a | 605 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191809
((R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phe...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC(CC2)c2ccccc2)CC=C)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O/c1-2-6-22(11-14-35-12-9-21(10-13-35)20-7-4-3-5-8-20)25(36)34-18-19-15-23(26(28,29)30)17-24(16-19)27(31,32)33/h2-5,7-8,15-17,21-22H,1,6,9-14,18H2,(H,34,36)/t22-/m1/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 642 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191799
(2-(1-acetylpiperidin-3-yl)-N-{[3,5-bis(trifluorome...)Show SMILES CC(=O)N1CCCC(C1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:20| Show InChI InChI=1S/C33H37F6N3O2/c1-22(43)42-13-4-6-25(21-42)28(9-14-41-15-11-31(12-16-41)10-8-24-5-2-3-7-29(24)31)30(44)40-20-23-17-26(32(34,35)36)19-27(18-23)33(37,38)39/h2-3,5,7-8,10,17-19,25,28H,4,6,9,11-16,20-21H2,1H3,(H,40,44) | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50187037
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimet...)Show SMILES CN(C)CCN[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C21H22F7N3O/c1-31(2)8-7-29-18(14-3-5-17(22)6-4-14)19(32)30-12-13-9-15(20(23,24)25)11-16(10-13)21(26,27)28/h3-6,9-11,18,29H,7-8,12H2,1-2H3,(H,30,32)/t18-/m0/s1 | PDB
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UniProtKB/SwissProt
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| CHEMBL
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PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191810
(CHEMBL215768 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CS(=O)(=O)N1CCCC(C1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:21| Show InChI InChI=1S/C32H37F6N3O3S/c1-45(43,44)41-13-4-6-24(21-41)27(9-14-40-15-11-30(12-16-40)10-8-23-5-2-3-7-28(23)30)29(42)39-20-22-17-25(31(33,34)35)19-26(18-22)32(36,37)38/h2-3,5,7-8,10,17-19,24,27H,4,6,9,11-16,20-21H2,1H3,(H,39,42) | PDB
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| n/a | n/a | 783 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50191824
(CHEMBL215333 | methyl N-[1-({[3,5-bis(trifluoromet...)Show SMILES COC(=O)NC(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:15| Show InChI InChI=1S/C28H29F6N3O3/c1-40-25(39)36-23(7-11-37-12-9-26(10-13-37)8-6-19-4-2-3-5-22(19)26)24(38)35-17-18-14-20(27(29,30)31)16-21(15-18)28(32,33)34/h2-6,8,14-16,23H,7,9-13,17H2,1H3,(H,35,38)(H,36,39) | PDB
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 805 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells |
Bioorg Med Chem Lett 16: 4715-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.011
BindingDB Entry DOI: 10.7270/Q2JD4WDC |
More data for this
Ligand-Target Pair | |
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