Found 526 hits with Last Name = 'wachter' and Initial = 'm' 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)) | BDBM50377038
(CHEMBL258205)Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C29H33Cl2N3O2/c30-25-7-5-20(17-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377039
(CHEMBL257191)Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C29H33F2N3O2/c30-23-15-20(16-24(31)17-23)5-6-29(36)34-13-9-22(10-14-34)28(19-35)33-11-7-21(8-12-33)26-18-32-27-4-2-1-3-25(26)27/h1-6,15-18,21-22,28,32,35H,7-14,19H2/b6-5+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377034
(CHEMBL256301)Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |w:18.19| Show InChI InChI=1S/C30H36Cl2N4O4S/c1-41(39,40)34-23-4-6-28-24(17-23)25(18-33-28)21-8-12-35(13-9-21)29(19-37)22-10-14-36(15-11-22)30(38)7-3-20-2-5-26(31)27(32)16-20/h2-7,16-18,21-22,29,33-34,37H,8-15,19H2,1H3/b7-3+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377025
(CHEMBL403889)Show SMILES Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:14.15| Show InChI InChI=1S/C29H33F3N4O2/c30-24-13-18(14-25(31)29(24)32)1-4-28(38)36-11-7-20(8-12-36)27(17-37)35-9-5-19(6-10-35)23-16-34-26-3-2-21(33)15-22(23)26/h1-4,13-16,19-20,27,34,37H,5-12,17,33H2/b4-1+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377027
(CHEMBL404904)Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccc(O)cc12 |w:2.1| Show InChI InChI=1S/C29H32F3N3O3/c30-24-13-18(14-25(31)29(24)32)1-4-28(38)35-11-7-20(8-12-35)27(17-36)34-9-5-19(6-10-34)23-16-33-26-3-2-21(37)15-22(23)26/h1-4,13-16,19-20,27,33,36-37H,5-12,17H2/b4-1+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377026
(CHEMBL254772)Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:18.19| Show InChI InChI=1S/C30H35F3N4O4S/c1-42(40,41)35-22-3-4-27-23(16-22)24(17-34-27)20-6-10-36(11-7-20)28(18-38)21-8-12-37(13-9-21)29(39)5-2-19-14-25(31)30(33)26(32)15-19/h2-5,14-17,20-21,28,34-35,38H,6-13,18H2,1H3/b5-2+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585273
(CHEMBL5076031)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224496
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 expressed in THP1 cells assessed as MCP1-induced calcium flux |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377040
(CHEMBL402442)Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(F)c(Br)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C29H33BrFN3O2/c30-25-17-20(5-7-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377028
(CHEMBL255302)Show SMILES CC(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:17.18| Show InChI InChI=1S/C31H35F3N4O3/c1-19(40)36-23-3-4-28-24(16-23)25(17-35-28)21-6-10-37(11-7-21)29(18-39)22-8-12-38(13-9-22)30(41)5-2-20-14-26(32)31(34)27(33)15-20/h2-5,14-17,21-22,29,35,39H,6-13,18H2,1H3,(H,36,40)/b5-2+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585274
(CHEMBL5082556)Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50239941
((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...)Show SMILES OC[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H32F3N3O2/c30-24-15-19(16-25(31)29(24)32)5-6-28(37)35-13-9-21(10-14-35)27(18-36)34-11-7-20(8-12-34)23-17-33-26-4-2-1-3-22(23)26/h1-6,15-17,20-21,27,33,36H,7-14,18H2/b6-5+/t27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224501
((E)-2-(4-(7-methoxy-1H-indol-3-yl)piperidin-1-yl)-...)Show SMILES COc1cccc2c(c[nH]c12)C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:17.41| Show InChI InChI=1S/C30H32F3N3O4/c1-40-25-4-2-3-21-22(17-34-28(21)25)19-7-13-36(14-8-19)29(30(38)39)20-9-11-35(12-10-20)26(37)6-5-18-15-23(31)27(33)24(32)16-18/h2-6,15-17,19-20,29,34H,7-14H2,1H3,(H,38,39)/b6-5+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585274
(CHEMBL5082556)Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585281
(CHEMBL5079623)Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585280
(CHEMBL5090966)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(cc3n2)C(F)(F)F)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585281
(CHEMBL5079623)Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50239941
((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...)Show SMILES OC[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H32F3N3O2/c30-24-15-19(16-25(31)29(24)32)5-6-28(37)35-13-9-21(10-14-35)27(18-36)34-11-7-20(8-12-34)23-17-33-26-4-2-1-3-22(23)26/h1-6,15-17,20-21,27,33,36H,7-14,18H2/b6-5+/t27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor expressed in THP1 cells assessed as MCP-1-induced calcium flux by chemotoxis assay |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50239941
((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...)Show SMILES OC[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H32F3N3O2/c30-24-15-19(16-25(31)29(24)32)5-6-28(37)35-13-9-21(10-14-35)27(18-36)34-11-7-20(8-12-34)23-17-33-26-4-2-1-3-22(23)26/h1-6,15-17,20-21,27,33,36H,7-14,18H2/b6-5+/t27-/m1/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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224502
((E)-2-(4-(2-methyl-1H-indol-3-yl)piperidin-1-yl)-2...)Show SMILES Cc1[nH]c2ccccc2c1C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:16.40| Show InChI InChI=1S/C30H32F3N3O3/c1-18-27(22-4-2-3-5-25(22)34-18)20-8-14-36(15-9-20)29(30(38)39)21-10-12-35(13-11-21)26(37)7-6-19-16-23(31)28(33)24(32)17-19/h2-7,16-17,20-21,29,34H,8-15H2,1H3,(H,38,39)/b7-6+ | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224500
((E)-2-(4-(5-amino-1H-indol-3-yl)piperidin-1-yl)-2-...)Show SMILES Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:14.36| Show InChI InChI=1S/C29H31F3N4O3/c30-23-13-17(14-24(31)27(23)32)1-4-26(37)35-9-7-19(8-10-35)28(29(38)39)36-11-5-18(6-12-36)22-16-34-25-3-2-20(33)15-21(22)25/h1-4,13-16,18-19,28,34H,5-12,33H2,(H,38,39)/b4-1+ | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50246354
((S)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pipe...)Show SMILES OC[C@H](C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |r,w:11.11| Show InChI InChI=1S/C28H32F2N4O2/c29-22-14-19(15-23(30)16-22)3-4-27(36)34-12-7-21(8-13-34)26(18-35)33-10-5-20(6-11-33)25-17-32-28-24(25)2-1-9-31-28/h1-4,9,14-17,20-21,26,35H,5-8,10-13,18H2,(H,31,32)/t26-/m1/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 18: 6468-70 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224496
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224523
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2| Show InChI InChI=1S/C29H31Cl2N3O3/c30-24-7-5-19(17-25(24)31)6-8-27(35)33-13-11-21(12-14-33)28(29(36)37)34-15-9-20(10-16-34)23-18-32-26-4-2-1-3-22(23)26/h1-8,17-18,20-21,28,32H,9-16H2,(H,36,37)/b8-6+ | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585272
(CHEMBL5078844)Show SMILES OC(=O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585280
(CHEMBL5090966)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(cc3n2)C(F)(F)F)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224511
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24| Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+ | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224511
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24| Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+ | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585278
(CHEMBL5073747)Show SMILES CCC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585278
(CHEMBL5073747)Show SMILES CCC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585273
(CHEMBL5076031)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50246352
((+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pi...)Show SMILES OCC(C1CCN(CC1)C(=O)C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |w:11.11| Show InChI InChI=1S/C28H32Cl2N4O2/c29-24-5-3-19(16-25(24)30)4-6-27(36)34-14-9-21(10-15-34)26(18-35)33-12-7-20(8-13-33)23-17-32-28-22(23)2-1-11-31-28/h1-6,11,16-17,20-21,26,35H,7-10,12-15,18H2,(H,31,32) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 18: 6468-70 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377029
(CHEMBL255499)Show SMILES COc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:15.16| Show InChI InChI=1S/C30H34F3N3O3/c1-39-22-3-4-27-23(16-22)24(17-34-27)20-6-10-35(11-7-20)28(18-37)21-8-12-36(13-9-21)29(38)5-2-19-14-25(31)30(33)26(32)15-19/h2-5,14-17,20-21,28,34,37H,6-13,18H2,1H3/b5-2+ | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377041
(CHEMBL257173)Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C29H33F2N3O2/c30-25-7-5-20(17-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+ | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50246351
((+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pi...)Show SMILES OCC(C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |w:11.11| Show InChI InChI=1S/C28H32F2N4O2/c29-22-14-19(15-23(30)16-22)3-4-27(36)34-12-7-21(8-13-34)26(18-35)33-10-5-20(6-11-33)25-17-32-28-24(25)2-1-9-31-28/h1-4,9,14-17,20-21,26,35H,5-8,10-13,18H2,(H,31,32) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 18: 6468-70 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224524
((E)-2-(4-(5-(methylsulfonamido)-1H-indol-3-yl)pipe...)Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:18.40| Show InChI InChI=1S/C30H33F3N4O5S/c1-43(41,42)35-21-3-4-26-22(16-21)23(17-34-26)19-6-12-37(13-7-19)29(30(39)40)20-8-10-36(11-9-20)27(38)5-2-18-14-24(31)28(33)25(32)15-18/h2-5,14-17,19-20,29,34-35H,6-13H2,1H3,(H,39,40)/b5-2+ | PDB
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585262
(CHEMBL5081728)Show SMILES OC(=O)Cn1nc(Cc2nc3cc(c(OCC4CC4)cc3[nH]2)C(F)(F)F)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50246304
((+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pi...)Show SMILES OCC(C1CCN(CC1)C(=O)C=Cc1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |w:11.11| Show InChI InChI=1S/C28H31F3N4O2/c29-23-14-18(15-24(30)27(23)31)3-4-26(37)35-12-7-20(8-13-35)25(17-36)34-10-5-19(6-11-34)22-16-33-28-21(22)2-1-9-32-28/h1-4,9,14-16,19-20,25,36H,5-8,10-13,17H2,(H,32,33) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 18: 6468-70 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377035
(CHEMBL257628)Show SMILES COc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |w:15.16| Show InChI InChI=1S/C30H35Cl2N3O3/c1-38-23-4-6-28-24(17-23)25(18-33-28)21-8-12-34(13-9-21)29(19-36)22-10-14-35(15-11-22)30(37)7-3-20-2-5-26(31)27(32)16-20/h2-7,16-18,21-22,29,33,36H,8-15,19H2,1H3/b7-3+ | PDB
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UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585271
(CHEMBL5070413)Show SMILES OC(=O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224519
((E)-2-(4-(6-chloro-1H-indol-3-yl)piperidin-1-yl)-2...)Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2cc(Cl)ccc12 |w:3.2| Show InChI InChI=1S/C29H29ClF3N3O3/c30-20-2-3-21-22(16-34-25(21)15-20)18-5-11-36(12-6-18)28(29(38)39)19-7-9-35(10-8-19)26(37)4-1-17-13-23(31)27(33)24(32)14-17/h1-4,13-16,18-19,28,34H,5-12H2,(H,38,39)/b4-1+ | PDB
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UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CCR2 |
J Med Chem 50: 5561-3 (2007)
Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585276
(CHEMBL5093130)Show SMILES CC(C)(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585281
(CHEMBL5079623)Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitment |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585270
(CHEMBL5079608)Show SMILES OC(=O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585261
(CHEMBL5076737)Show SMILES OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585271
(CHEMBL5070413)Show SMILES OC(=O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377042
(CHEMBL257385)Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cccc(Br)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C29H34BrN3O2/c30-24-5-3-4-21(18-24)8-9-29(35)33-16-12-23(13-17-33)28(20-34)32-14-10-22(11-15-32)26-19-31-27-7-2-1-6-25(26)27/h1-9,18-19,22-23,28,31,34H,10-17,20H2/b9-8+ | PDB
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PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377023
(CHEMBL438353)Show SMILES OCC(C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C27H32Cl2N4O2/c28-23-6-5-20(15-24(23)29)31-27(35)33-13-9-19(10-14-33)26(17-34)32-11-7-18(8-12-32)22-16-30-25-4-2-1-3-21(22)25/h1-6,15-16,18-19,26,30,34H,7-14,17H2,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| 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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50377043
(CHEMBL403250)Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cccc(c1)C(F)(F)F)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C30H34F3N3O2/c31-30(32,33)24-5-3-4-21(18-24)8-9-29(38)36-16-12-23(13-17-36)28(20-37)35-14-10-22(11-15-35)26-19-34-27-7-2-1-6-25(26)27/h1-9,18-19,22-23,28,34,37H,10-17,20H2/b9-8+ | PDB
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UniProtKB/SwissProt
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PC cid
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human CCR2 receptor |
Bioorg Med Chem Lett 18: 3562-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1/2
(RAT) | BDBM50076666
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The R.W. Johnson Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1) |
Bioorg Med Chem Lett 9: 979-84 (1999)
BindingDB Entry DOI: 10.7270/Q2Z31XV3 |
More data for this
Ligand-Target Pair | |
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