Found 109 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)) | BDBM50385474
(CHEMBL2036748)Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human HEK cell membrane |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385479
(CHEMBL2036755)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C25H32Cl2N4O/c26-23-9-8-22(17-24(23)27)28-25(32)31-15-13-30(14-16-31)19-21-7-4-11-29(18-21)12-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,21H,4,7,10-16,18-19H2,(H,28,32)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-induced CCR2-mediated chemotaxis in human THP-1 cells |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385469
(CHEMBL2036757)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385468
(CHEMBL2036758)Show SMILES CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385466
(CHEMBL2036760)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385456
(CHEMBL2036775)Show SMILES CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385452
(CHEMBL2036780)Show SMILES CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H25Cl2N5O2/c1-2-23-6-5-21-16(12-23)17(26)24-7-9-25(10-8-24)18(27)22-13-3-4-14(19)15(20)11-13/h3-4,11,16,21H,2,5-10,12H2,1H3,(H,22,27)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CCR5 by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385475
(CHEMBL2036777)Show SMILES CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H29Cl2N5O/c1-14(2)26-6-5-22-16(13-26)12-24-7-9-25(10-8-24)19(27)23-15-3-4-17(20)18(21)11-15/h3-4,11,14,16,22H,5-10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385464
(CHEMBL2036762)Show SMILES Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H31ClN4O/c1-16-4-5-18(13-20(16)22)23-21(27)25-11-9-24(10-12-25)14-17-3-2-8-26(15-17)19-6-7-19/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3,(H,23,27)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385466
(CHEMBL2036760)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385475
(CHEMBL2036777)Show SMILES CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H29Cl2N5O/c1-14(2)26-6-5-22-16(13-26)12-24-7-9-25(10-8-24)19(27)23-15-3-4-17(20)18(21)11-15/h3-4,11,14,16,22H,5-10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385451
(CHEMBL2036781)Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r| Show InChI InChI=1S/C19H25Cl2N5O2/c20-15-4-1-13(11-16(15)21)23-19(28)25-9-7-24(8-10-25)18(27)17-12-26(6-5-22-17)14-2-3-14/h1,4,11,14,17,22H,2-3,5-10,12H2,(H,23,28)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385465
(CHEMBL2036761)Show SMILES FC(F)(F)c1cc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)ccc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-6-3-16(12-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385472
(CHEMBL2036751)Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385451
(CHEMBL2036781)Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r| Show InChI InChI=1S/C19H25Cl2N5O2/c20-15-4-1-13(11-16(15)21)23-19(28)25-9-7-24(8-10-25)18(27)17-12-26(6-5-22-17)14-2-3-14/h1,4,11,14,17,22H,2-3,5-10,12H2,(H,23,28)/t17-/m1/s1 | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385479
(CHEMBL2036755)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C25H32Cl2N4O/c26-23-9-8-22(17-24(23)27)28-25(32)31-15-13-30(14-16-31)19-21-7-4-11-29(18-21)12-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,21H,4,7,10-16,18-19H2,(H,28,32)/t21-/m1/s1 | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385456
(CHEMBL2036775)Show SMILES CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1 | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385467
(CHEMBL2036759)Show SMILES Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28ClFN4O/c21-18-12-16(3-6-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385471
(CHEMBL2036754)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H30Cl2N4O/c22-19-6-5-18(12-20(19)23)24-21(28)27-10-8-25(9-11-27)14-17-2-1-7-26(15-17)13-16-3-4-16/h5-6,12,16-17H,1-4,7-11,13-15H2,(H,24,28)/t17-/m0/s1 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385452
(CHEMBL2036780)Show SMILES CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H25Cl2N5O2/c1-2-23-6-5-21-16(12-23)17(26)24-7-9-25(10-8-24)18(27)22-13-3-4-14(19)15(20)11-13/h3-4,11,16,21H,2,5-10,12H2,1H3,(H,22,27)/t16-/m1/s1 | PDB
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PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385468
(CHEMBL2036758)Show SMILES CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1 | PDB
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PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385461
(CHEMBL2036764)Show SMILES Brc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C20H29BrN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1 | PDB
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PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385458
(CHEMBL2036773)Show SMILES CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C18H26Cl2N4O2/c1-2-22-9-10-26-15(12-22)13-23-5-7-24(8-6-23)18(25)21-14-3-4-16(19)17(20)11-14/h3-4,11,15H,2,5-10,12-13H2,1H3,(H,21,25)/t15-/m1/s1 | PDB
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PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385469
(CHEMBL2036757)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
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PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385470
(CHEMBL2036756)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C26H34Cl2N4O/c27-24-11-10-23(18-25(24)28)29-26(33)32-16-14-31(15-17-32)20-22-9-5-13-30(19-22)12-4-8-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,22H,4-5,8-9,12-17,19-20H2,(H,29,33)/t22-/m1/s1 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385459
(CHEMBL2036767)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-3-5-18(6-4-17)25-20(29)27-12-10-26(11-13-27)14-16-2-1-9-28(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,25,29)/t16-/m0/s1 | PDB
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PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385449
(CHEMBL2036783)Show SMILES CN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1 | PDB
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PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385467
(CHEMBL2036759)Show SMILES Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28ClFN4O/c21-18-12-16(3-6-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
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PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385460
(CHEMBL2036766)Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r| Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-4-1-5-18(13-17)25-20(29)27-11-9-26(10-12-27)14-16-3-2-8-28(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,25,29)/t16-/m0/s1 | PDB
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PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385480
(CHEMBL2036753)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C24H30Cl2N4O/c25-22-9-8-21(15-23(22)26)27-24(31)30-13-11-28(12-14-30)17-20-7-4-10-29(18-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20H,4,7,10-14,16-18H2,(H,27,31)/t20-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385472
(CHEMBL2036751)Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1 | PDB
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385463
(CHEMBL2035000)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C20H29ClN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385471
(CHEMBL2036754)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H30Cl2N4O/c22-19-6-5-18(12-20(19)23)24-21(28)27-10-8-25(9-11-27)14-17-2-1-7-26(15-17)13-16-3-4-16/h5-6,12,16-17H,1-4,7-11,13-15H2,(H,24,28)/t17-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385461
(CHEMBL2036764)Show SMILES Brc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C20H29BrN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385474
(CHEMBL2036748)Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385462
(CHEMBL2036763)Show SMILES Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r| Show InChI InChI=1S/C20H29ClN4O/c21-17-4-1-5-18(13-17)22-20(26)24-11-9-23(10-12-24)14-16-3-2-8-25(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385472
(CHEMBL2036751)Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385464
(CHEMBL2036762)Show SMILES Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H31ClN4O/c1-16-4-5-18(13-20(16)22)23-21(27)25-11-9-24(10-12-25)14-17-3-2-8-26(15-17)19-6-7-19/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3,(H,23,27)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Rattus norvegicus) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385462
(CHEMBL2036763)Show SMILES Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r| Show InChI InChI=1S/C20H29ClN4O/c21-17-4-1-5-18(13-17)22-20(26)24-11-9-23(10-12-24)14-16-3-2-8-25(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385463
(CHEMBL2035000)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C20H29ClN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385480
(CHEMBL2036753)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C24H30Cl2N4O/c25-22-9-8-21(15-23(22)26)27-24(31)30-13-11-28(12-14-30)17-20-7-4-10-29(18-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20H,4,7,10-14,16-18H2,(H,27,31)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385457
(CHEMBL2036774)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385457
(CHEMBL2036774)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 267 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385458
(CHEMBL2036773)Show SMILES CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C18H26Cl2N4O2/c1-2-22-9-10-26-15(12-22)13-23-5-7-24(8-6-23)18(25)21-14-3-4-16(19)17(20)11-14/h3-4,11,15H,2,5-10,12-13H2,1H3,(H,21,25)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385470
(CHEMBL2036756)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C26H34Cl2N4O/c27-24-11-10-23(18-25(24)28)29-26(33)32-16-14-31(15-17-32)20-22-9-5-13-30(19-22)12-4-8-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,22H,4-5,8-9,12-17,19-20H2,(H,29,33)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385449
(CHEMBL2036783)Show SMILES CN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385470
(CHEMBL2036756)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C26H34Cl2N4O/c27-24-11-10-23(18-25(24)28)29-26(33)32-16-14-31(15-17-32)20-22-9-5-13-30(19-22)12-4-8-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,22H,4-5,8-9,12-17,19-20H2,(H,29,33)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385465
(CHEMBL2036761)Show SMILES FC(F)(F)c1cc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)ccc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-6-3-16(12-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385477
(CHEMBL2036769)Show SMILES O=C(Nc1ccc(cc1)C#N)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1 |r| Show InChI InChI=1S/C21H29N5O/c22-14-17-3-5-19(6-4-17)23-21(27)25-12-10-24(11-13-25)15-18-2-1-9-26(16-18)20-7-8-20/h3-6,18,20H,1-2,7-13,15-16H2,(H,23,27)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 449 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385480
(CHEMBL2036753)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C24H30Cl2N4O/c25-22-9-8-21(15-23(22)26)27-24(31)30-13-11-28(12-14-30)17-20-7-4-10-29(18-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20H,4,7,10-14,16-18H2,(H,27,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385460
(CHEMBL2036766)Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r| Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-4-1-5-18(13-17)25-20(29)27-11-9-26(10-12-27)14-16-3-2-8-28(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,25,29)/t16-/m0/s1 | PDB
KEGG
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 578 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385454
(CHEMBL2036778)Show SMILES CCN1CCC[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N4O2/c1-2-23-7-3-4-14(13-23)18(26)24-8-10-25(11-9-24)19(27)22-15-5-6-16(20)17(21)12-15/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,22,27)/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 588 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385459
(CHEMBL2036767)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-3-5-18(6-4-17)25-20(29)27-12-10-26(11-13-27)14-16-2-1-9-28(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,25,29)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 593 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385472
(CHEMBL2036751)Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1 | PDB
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 627 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385476
(CHEMBL2036772)Show SMILES O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1 |r| Show InChI InChI=1S/C20H30N4O/c25-20(21-18-6-2-1-3-7-18)23-13-11-22(12-14-23)15-17-5-4-10-24(16-17)19-8-9-19/h1-3,6-7,17,19H,4-5,8-16H2,(H,21,25)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385473
(CHEMBL2036749)Show InChI InChI=1S/C17H24Cl2N4O/c18-15-4-3-14(10-16(15)19)21-17(24)23-8-6-22(7-9-23)12-13-2-1-5-20-11-13/h3-4,10,13,20H,1-2,5-9,11-12H2,(H,21,24) | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385455
(CHEMBL2036776)Show SMILES CCN1CCNC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H27Cl2N5O/c1-2-23-6-5-21-15(12-23)13-24-7-9-25(10-8-24)18(26)22-14-3-4-16(19)17(20)11-14/h3-4,11,15,21H,2,5-10,12-13H2,1H3,(H,22,26) | PDB
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 797 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385454
(CHEMBL2036778)Show SMILES CCN1CCC[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N4O2/c1-2-23-7-3-4-14(13-23)18(26)24-8-10-25(11-9-24)19(27)22-15-5-6-16(20)17(21)12-15/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,22,27)/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 856 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385466
(CHEMBL2036760)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385471
(CHEMBL2036754)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H30Cl2N4O/c22-19-6-5-18(12-20(19)23)24-21(28)27-10-8-25(9-11-27)14-17-2-1-7-26(15-17)13-16-3-4-16/h5-6,12,16-17H,1-4,7-11,13-15H2,(H,24,28)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385473
(CHEMBL2036749)Show InChI InChI=1S/C17H24Cl2N4O/c18-15-4-3-14(10-16(15)19)21-17(24)23-8-6-22(7-9-23)12-13-2-1-5-20-11-13/h3-4,10,13,20H,1-2,5-9,11-12H2,(H,21,24) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385474
(CHEMBL2036748)Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 965 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385453
(CHEMBL2036779)Show SMILES CCN1CCOC(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H24Cl2N4O3/c1-2-22-9-10-27-16(12-22)17(25)23-5-7-24(8-6-23)18(26)21-13-3-4-14(19)15(20)11-13/h3-4,11,16H,2,5-10,12H2,1H3,(H,21,26) | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385478
(CHEMBL2036768)Show SMILES O=C(Nc1cccc(c1)C#N)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1 |r| Show InChI InChI=1S/C21H29N5O/c22-14-17-3-1-5-19(13-17)23-21(27)25-11-9-24(10-12-25)15-18-4-2-8-26(16-18)20-6-7-20/h1,3,5,13,18,20H,2,4,6-12,15-16H2,(H,23,27)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385484
(CHEMBL2036752)Show SMILES CCN1CCC[C@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385468
(CHEMBL2036758)Show SMILES CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385483
(CHEMBL2036765)Show SMILES COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C21H32N4O2/c1-27-20-8-4-18(5-9-20)22-21(26)24-13-11-23(12-14-24)15-17-3-2-10-25(16-17)19-6-7-19/h4-5,8-9,17,19H,2-3,6-7,10-16H2,1H3,(H,22,26)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50385469
(CHEMBL2036757)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385474
(CHEMBL2036748)Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385473
(CHEMBL2036749)Show InChI InChI=1S/C17H24Cl2N4O/c18-15-4-3-14(10-16(15)19)21-17(24)23-8-6-22(7-9-23)12-13-2-1-5-20-11-13/h3-4,10,13,20H,1-2,5-9,11-12H2,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385469
(CHEMBL2036757)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385472
(CHEMBL2036751)Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385453
(CHEMBL2036779)Show SMILES CCN1CCOC(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H24Cl2N4O3/c1-2-22-9-10-27-16(12-22)17(25)23-5-7-24(8-6-23)18(26)21-13-3-4-14(19)15(20)11-13/h3-4,11,16H,2,5-10,12H2,1H3,(H,21,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385476
(CHEMBL2036772)Show SMILES O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1 |r| Show InChI InChI=1S/C20H30N4O/c25-20(21-18-6-2-1-3-7-18)23-13-11-22(12-14-23)15-17-5-4-10-24(16-17)19-8-9-19/h1-3,6-7,17,19H,4-5,8-16H2,(H,21,25)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50385469
(CHEMBL2036757)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385472
(CHEMBL2036751)Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385477
(CHEMBL2036769)Show SMILES O=C(Nc1ccc(cc1)C#N)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1 |r| Show InChI InChI=1S/C21H29N5O/c22-14-17-3-5-19(6-4-17)23-21(27)25-12-10-24(11-13-25)15-18-2-1-9-26(16-18)20-7-8-20/h3-6,18,20H,1-2,7-13,15-16H2,(H,23,27)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385453
(CHEMBL2036779)Show SMILES CCN1CCOC(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H24Cl2N4O3/c1-2-22-9-10-27-16(12-22)17(25)23-5-7-24(8-6-23)18(26)21-13-3-4-14(19)15(20)11-13/h3-4,11,16H,2,5-10,12H2,1H3,(H,21,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385454
(CHEMBL2036778)Show SMILES CCN1CCC[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N4O2/c1-2-23-7-3-4-14(13-23)18(26)24-8-10-25(11-9-24)19(27)22-15-5-6-16(20)17(21)12-15/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,22,27)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385448
(CHEMBL2036784)Show SMILES CN1CCN(C)C(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H25Cl2N5O2/c1-22-5-6-23(2)16(12-22)17(26)24-7-9-25(10-8-24)18(27)21-13-3-4-14(19)15(20)11-13/h3-4,11,16H,5-10,12H2,1-2H3,(H,21,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385475
(CHEMBL2036777)Show SMILES CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H29Cl2N5O/c1-14(2)26-6-5-22-16(13-26)12-24-7-9-25(10-8-24)19(27)23-15-3-4-17(20)18(21)11-15/h3-4,11,14,16,22H,5-10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385478
(CHEMBL2036768)Show SMILES O=C(Nc1cccc(c1)C#N)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1 |r| Show InChI InChI=1S/C21H29N5O/c22-14-17-3-1-5-19(13-17)23-21(27)25-11-9-24(10-12-25)15-18-4-2-8-26(16-18)20-6-7-20/h1,3,5,13,18,20H,2,4,6-12,15-16H2,(H,23,27)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385465
(CHEMBL2036761)Show SMILES FC(F)(F)c1cc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)ccc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-6-3-16(12-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385456
(CHEMBL2036775)Show SMILES CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385459
(CHEMBL2036767)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-3-5-18(6-4-17)25-20(29)27-12-10-26(11-13-27)14-16-2-1-9-28(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,25,29)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385461
(CHEMBL2036764)Show SMILES Brc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C20H29BrN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385464
(CHEMBL2036762)Show SMILES Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H31ClN4O/c1-16-4-5-18(13-20(16)22)23-21(27)25-11-9-24(10-12-25)14-17-3-2-8-26(15-17)19-6-7-19/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3,(H,23,27)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385458
(CHEMBL2036773)Show SMILES CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C18H26Cl2N4O2/c1-2-22-9-10-26-15(12-22)13-23-5-7-24(8-6-23)18(25)21-14-3-4-16(19)17(20)11-14/h3-4,11,15H,2,5-10,12-13H2,1H3,(H,21,25)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385455
(CHEMBL2036776)Show SMILES CCN1CCNC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H27Cl2N5O/c1-2-23-6-5-21-15(12-23)13-24-7-9-25(10-8-24)18(26)22-14-3-4-16(19)17(20)11-14/h3-4,11,15,21H,2,5-10,12-13H2,1H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385482
(CHEMBL2036770)Show SMILES Clc1ccccc1NC(=O)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1 |r| Show InChI InChI=1S/C20H29ClN4O/c21-18-5-1-2-6-19(18)22-20(26)24-12-10-23(11-13-24)14-16-4-3-9-25(15-16)17-7-8-17/h1-2,5-6,16-17H,3-4,7-15H2,(H,22,26)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385481
(CHEMBL2036771)Show SMILES CS(=O)(=O)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r| Show InChI InChI=1S/C21H32N4O3S/c1-29(27,28)20-6-2-5-18(14-20)22-21(26)24-12-10-23(11-13-24)15-17-4-3-9-25(16-17)19-7-8-19/h2,5-6,14,17,19H,3-4,7-13,15-16H2,1H3,(H,22,26)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385452
(CHEMBL2036780)Show SMILES CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H25Cl2N5O2/c1-2-23-6-5-21-16(12-23)17(26)24-7-9-25(10-8-24)18(27)22-13-3-4-14(19)15(20)11-13/h3-4,11,16,21H,2,5-10,12H2,1H3,(H,22,27)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385460
(CHEMBL2036766)Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r| Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-4-1-5-18(13-17)25-20(29)27-11-9-26(10-12-27)14-16-3-2-8-28(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,25,29)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385448
(CHEMBL2036784)Show SMILES CN1CCN(C)C(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H25Cl2N5O2/c1-22-5-6-23(2)16(12-22)17(26)24-7-9-25(10-8-24)18(27)21-13-3-4-14(19)15(20)11-13/h3-4,11,16H,5-10,12H2,1-2H3,(H,21,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385467
(CHEMBL2036759)Show SMILES Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28ClFN4O/c21-18-12-16(3-6-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385463
(CHEMBL2035000)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r| Show InChI InChI=1S/C20H29ClN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385457
(CHEMBL2036774)Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385451
(CHEMBL2036781)Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r| Show InChI InChI=1S/C19H25Cl2N5O2/c20-15-4-1-13(11-16(15)21)23-19(28)25-9-7-24(8-10-25)18(27)17-12-26(6-5-22-17)14-2-3-14/h1,4,11,14,17,22H,2-3,5-10,12H2,(H,23,28)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385449
(CHEMBL2036783)Show SMILES CN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385462
(CHEMBL2036763)Show SMILES Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r| Show InChI InChI=1S/C20H29ClN4O/c21-17-4-1-5-18(13-17)22-20(26)24-11-9-23(10-12-24)14-16-3-2-8-25(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,22,26)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology assay |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385450
(CHEMBL2036782)Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.47 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human peripheral whole blood assessed as inhibition of MCP1-induced L-selectin shedding |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
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