Found 297 hits with Last Name = 'he' and Initial = 'qh' 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 |
|---|
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50510071
(CHEMBL4541082)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1I)C(F)(F)F |r| Show InChI InChI=1S/C14H14F3IN2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)18)14(15,16)17/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill... |
Bioorg Med Chem Lett 29: 1476-1480 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50510072
(CHEMBL4435339)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Br)C(F)(F)F |r| Show InChI InChI=1S/C14H14BrF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill... |
Bioorg Med Chem Lett 29: 1476-1480 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50416603
(CHEMBL1222883)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
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| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill... |
Bioorg Med Chem Lett 29: 1476-1480 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in human frontal cortex after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 1953-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.045
BindingDB Entry DOI: 10.7270/Q2S183VK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308541
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29) | PDB
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| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308537
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28) | PDB
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PC sid
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| Article
PubMed
| 6.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308538
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29) | PDB
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PC sid
UniChem
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| Article
PubMed
| 9.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308539
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 10.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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PC sid
UniChem
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| DrugBank
Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from D2 receptor in human corpus striatum after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 1953-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.045
BindingDB Entry DOI: 10.7270/Q2S183VK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
Reactome pathway
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UniChem
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| DrugBank
Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in human frontal cortex after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 1953-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.045
BindingDB Entry DOI: 10.7270/Q2S183VK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308546
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(Cl)nc12 Show InChI InChI=1S/C24H26ClFN2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(25)28-21(17)22)24(29)27-13-12-16-6-9-18(26)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 23.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308540
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C25H30N2O5/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(29)27-22(18)23)24(28)26-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,28)(H,27,29) | PDB
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PC sid
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PubMed
| 27.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50510070
(CHEMBL2218191)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1F)C(F)(F)F Show InChI InChI=1S/C14H14F4N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
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| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill... |
Bioorg Med Chem Lett 29: 1476-1480 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308537
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28) | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308539
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29) | PDB
NCI pathway
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 323 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308542
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(Cl)nc12 Show InChI InChI=1S/C24H27ClN2O3/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(23(25)27-21(18)22)24(28)26-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,26,28) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 497 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308540
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C25H30N2O5/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(29)27-22(18)23)24(28)26-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,28)(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 733 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308543
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(Cl)nc12 Show InChI InChI=1S/C24H26Cl2N2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(26)28-21(17)22)24(29)27-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29) | PDB
Reactome pathway
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UniChem
Similars
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PubMed
| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308544
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(Cl)nc12 Show InChI InChI=1S/C25H29ClN2O3/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(24(26)28-22(19)23)25(29)27-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,27,29) | PDB
Reactome pathway
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308545
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(Cl)nc12 Show InChI InChI=1S/C25H29ClN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(24(26)28-22(18)23)25(29)27-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308546
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(Cl)nc12 Show InChI InChI=1S/C24H26ClFN2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(25)28-21(17)22)24(29)27-13-12-16-6-9-18(26)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308542
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(Cl)nc12 Show InChI InChI=1S/C24H27ClN2O3/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(23(25)27-21(18)22)24(28)26-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308541
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308538
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308545
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(Cl)nc12 Show InChI InChI=1S/C25H29ClN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(24(26)28-22(18)23)25(29)27-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308544
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(Cl)nc12 Show InChI InChI=1S/C25H29ClN2O3/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(24(26)28-22(19)23)25(29)27-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50308543
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(Cl)nc12 Show InChI InChI=1S/C24H26Cl2N2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(26)28-21(17)22)24(29)27-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor |
Bioorg Med Chem 18: 2099-106 (2010)
Article DOI: 10.1016/j.bmc.2010.02.011
BindingDB Entry DOI: 10.7270/Q2CN741B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50084289
((S)-2-(4'-methoxy-biphenyl-4-sulfonylamino)-3-meth...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C18H21NO5S/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 2217-22 (2003)
BindingDB Entry DOI: 10.7270/Q28G8K3B |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50510071
(CHEMBL4541082)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1I)C(F)(F)F |r| Show InChI InChI=1S/C14H14F3IN2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)18)14(15,16)17/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counti... |
Bioorg Med Chem Lett 29: 1476-1480 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50084289
((S)-2-(4'-methoxy-biphenyl-4-sulfonylamino)-3-meth...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C18H21NO5S/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-13 |
Bioorg Med Chem Lett 13: 2217-22 (2003)
BindingDB Entry DOI: 10.7270/Q28G8K3B |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50209823
(3-(4-(2-(1H-tetrazol-5-yl)-1H-pyrrol-1-yl)benzyl)-...)Show SMILES CCCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7O2/c1-2-3-9-21-25-19-7-4-6-18(24(32)33)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-8-20(30)23-26-28-29-27-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,32,33)(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor |
Bioorg Med Chem Lett 17: 2921-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.042
BindingDB Entry DOI: 10.7270/Q2C82908 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in human frontal cortex after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 1953-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.045
BindingDB Entry DOI: 10.7270/Q2S183VK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50510072
(CHEMBL4435339)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Br)C(F)(F)F |r| Show InChI InChI=1S/C14H14BrF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counti... |
Bioorg Med Chem Lett 29: 1476-1480 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084289
((S)-2-(4'-methoxy-biphenyl-4-sulfonylamino)-3-meth...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C18H21NO5S/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2217-22 (2003)
BindingDB Entry DOI: 10.7270/Q28G8K3B |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50416603
(CHEMBL1222883)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counti... |
Bioorg Med Chem Lett 29: 1476-1480 (2019)
Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50209824
(CHEMBL245444 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...)Show SMILES CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H25N7O2/c1-3-4-10-22-26-20-8-5-7-19(25(33)34-2)23(20)32(22)16-17-11-13-18(14-12-17)31-15-6-9-21(31)24-27-29-30-28-24/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor |
Bioorg Med Chem Lett 17: 2921-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.042
BindingDB Entry DOI: 10.7270/Q2C82908 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
Reactome pathway
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antibodypedia
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CHEMBL
DrugBank
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PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from D2 receptor in human corpus striatum after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 1953-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.045
BindingDB Entry DOI: 10.7270/Q2S183VK |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50209827
(3-(4-(2-(1H-tetrazol-5-yl)-1H-pyrrol-1-yl)benzyl)-...)Show SMILES CCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7O2/c1-2-5-20-24-18-7-3-6-17(23(31)32)21(18)30(20)14-15-9-11-16(12-10-15)29-13-4-8-19(29)22-25-27-28-26-22/h3-4,6-13H,2,5,14H2,1H3,(H,31,32)(H,25,26,27,28) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor |
Bioorg Med Chem Lett 17: 2921-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.042
BindingDB Entry DOI: 10.7270/Q2C82908 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50209832
(CHEMBL241685 | ethyl 3-(4-(2-(1H-tetrazol-5-yl)-1H...)Show SMILES CCCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H27N7O2/c1-3-5-11-23-27-21-9-6-8-20(26(34)35-4-2)24(21)33(23)17-18-12-14-19(15-13-18)32-16-7-10-22(32)25-28-30-31-29-25/h6-10,12-16H,3-5,11,17H2,1-2H3,(H,28,29,30,31) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor |
Bioorg Med Chem Lett 17: 2921-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.042
BindingDB Entry DOI: 10.7270/Q2C82908 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50209833
(CHEMBL245644 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...)Show SMILES CCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7O2/c1-3-6-21-25-19-8-4-7-18(24(32)33-2)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-9-20(30)23-26-28-29-27-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,26,27,28,29) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor |
Bioorg Med Chem Lett 17: 2921-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.042
BindingDB Entry DOI: 10.7270/Q2C82908 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50209826
(3-(4-(2-carboxy-1H-pyrrol-1-yl)benzyl)-2-butyl-3H-...)Show SMILES CCCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1C(O)=O Show InChI InChI=1S/C24H23N3O4/c1-2-3-9-21-25-19-7-4-6-18(23(28)29)22(19)27(21)15-16-10-12-17(13-11-16)26-14-5-8-20(26)24(30)31/h4-8,10-14H,2-3,9,15H2,1H3,(H,28,29)(H,30,31) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor |
Bioorg Med Chem Lett 17: 2921-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.042
BindingDB Entry DOI: 10.7270/Q2C82908 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50375397
(CHEMBL262849)Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-8-6-12(7-9-14)4-5-13-3-2-10-15-11-13/h2-3,6-11H,1H3 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 1948-56 (2008)
Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50209825
(CHEMBL440051 | ethyl 3-(4-(2-(1H-tetrazol-5-yl)-1H...)Show SMILES CCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H25N7O2/c1-3-7-22-26-20-9-5-8-19(25(33)34-4-2)23(20)32(22)16-17-11-13-18(14-12-17)31-15-6-10-21(31)24-27-29-30-28-24/h5-6,8-15H,3-4,7,16H2,1-2H3,(H,27,28,29,30) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor |
Bioorg Med Chem Lett 17: 2921-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.042
BindingDB Entry DOI: 10.7270/Q2C82908 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Alberta
| Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as... |
J Med Chem 49: 1668-83 (2006)
Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50375406
(CHEMBL259429)Show InChI InChI=1S/C14H12N2O2S/c1-11-3-2-10-16-14(11)9-6-12-4-7-13(8-5-12)19(15,17)18/h2-5,7-8,10H,1H3,(H2,15,17,18) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 1948-56 (2008)
Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 1948-56 (2008)
Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 by enzyme immunoassay |
Bioorg Med Chem 16: 3302-8 (2008)
Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50374775
(CHEMBL260841)Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(=O)OCCO[N+]([O-])=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C18H16BrNO7S/c1-28(24,25)16-8-2-13(3-9-16)12-17(14-4-6-15(19)7-5-14)18(21)26-10-11-27-20(22)23/h2-9,12H,10-11H2,1H3/b17-12+ | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 by enzyme immunoassay |
Bioorg Med Chem 16: 3302-8 (2008)
Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 15: 6796-801 (2007)
Article DOI: 10.1016/j.bmc.2007.07.021
BindingDB Entry DOI: 10.7270/Q28052B9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in human frontal cortex after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 1953-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.045
BindingDB Entry DOI: 10.7270/Q2S183VK |
More data for this
Ligand-Target Pair | |
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