Found 285 hits with Last Name = 'mann' and Initial = 'dw' 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 |
|---|
Procathepsin L
(Homo sapiens (Human)) | BDBM50128821
(CHEMBL3629203)Show SMILES NC(=S)N\N=C(/c1cc(Br)cc(c1)C(=O)c1ccccc1F)c1ccccc1F Show InChI InChI=1S/C21H14BrF2N3OS/c22-14-10-12(9-13(11-14)20(28)16-6-2-4-8-18(16)24)19(26-27-21(25)29)15-5-1-3-7-17(15)23/h1-11H,(H3,25,27,29)/b26-19+ | 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 | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor University
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay |
Bioorg Med Chem 23: 6974-92 (2015)
Article DOI: 10.1016/j.bmc.2015.09.036
BindingDB Entry DOI: 10.7270/Q2T43VX1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1 [852-1142]
(Homo sapiens (Human)) | BDBM185700
(US10875847, Compound Oclacitinib | US9161939, 1a |...)Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.53 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9271981 (2016)
BindingDB Entry DOI: 10.7270/Q2VD6X90 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM185700
(US10875847, Compound Oclacitinib | US9161939, 1a |...)Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.53 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9161939 (2015)
BindingDB Entry DOI: 10.7270/Q2CC0ZF7 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50128809
(CHEMBL3629191)Show SMILES NC(=S)N\N=C(/c1ccccc1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H17N3OS/c22-21(26)24-23-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(25)16-10-5-2-6-11-16/h1-14H,(H3,22,24,26)/b23-19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor University
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay |
Bioorg Med Chem 23: 6974-92 (2015)
Article DOI: 10.1016/j.bmc.2015.09.036
BindingDB Entry DOI: 10.7270/Q2T43VX1 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182338
(2-(5-(4-(furan-2-yl)-3-methylphenyl)-3-(trifluorom...)Show SMILES Cc1cc(ccc1-c1ccco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C21H16F3N3O3S/c1-13-10-14(5-7-16(13)18-4-3-9-30-18)17-11-19(21(22,23)24)26-27(17)20-8-6-15(12-25-20)31(2,28)29/h3-12H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182352
(2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(difluorome...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)F Show InChI InChI=1S/C20H14ClF2N3O3S/c1-30(27,28)13-5-7-19(24-11-13)26-17(10-16(25-26)20(22)23)12-4-6-14(15(21)9-12)18-3-2-8-29-18/h2-11,20H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182347
(2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(trifluorom...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C20H13ClF3N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182339
(2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-y...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(c1)C#N)C(F)(F)F Show InChI InChI=1S/C21H13F3N4O3S/c1-32(29,30)15-5-7-20(26-12-15)28-17(10-19(27-28)21(22,23)24)13-4-6-16(14(9-13)11-25)18-3-2-8-31-18/h2-10,12H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50128812
(CHEMBL3629194)Show SMILES NC(=S)N\N=C(/c1ccc(F)cc1)c1cccc(c1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H15F2N3OS/c22-17-8-4-13(5-9-17)19(25-26-21(24)28)15-2-1-3-16(12-15)20(27)14-6-10-18(23)11-7-14/h1-12H,(H3,24,26,28)/b25-19+ | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor University
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay |
Bioorg Med Chem 23: 6974-92 (2015)
Article DOI: 10.1016/j.bmc.2015.09.036
BindingDB Entry DOI: 10.7270/Q2T43VX1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2 [809-1153]
(Homo sapiens (Human)) | BDBM185700
(US10875847, Compound Oclacitinib | US9161939, 1a |...)Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9271981 (2016)
BindingDB Entry DOI: 10.7270/Q2VD6X90 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM185700
(US10875847, Compound Oclacitinib | US9161939, 1a |...)Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9161939 (2015)
BindingDB Entry DOI: 10.7270/Q2CC0ZF7 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182353
(2-(3-(difluoromethyl)-5-(3-methyl-4-(thiazol-4-yl)...)Show SMILES Cc1cc(ccc1-c1cscn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C20H16F2N4O2S2/c1-12-7-13(3-5-15(12)17-10-29-11-24-17)18-8-16(20(21)22)25-26(18)19-6-4-14(9-23-19)30(2,27)28/h3-11,20H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182332
(2-(5-(4-(furan-2-yl)phenyl)-3-(trifluoromethyl)-1H...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1ccco1)C(F)(F)F Show InChI InChI=1S/C20H14F3N3O3S/c1-30(27,28)15-8-9-19(24-12-15)26-16(11-18(25-26)20(21,22)23)13-4-6-14(7-5-13)17-3-2-10-29-17/h2-12H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50128811
(CHEMBL3629193)Show SMILES NC(=S)N\N=C(/c1ccccc1)c1cccc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C21H19N3OS/c22-21(26)24-23-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(25)16-10-5-2-6-11-16/h1-14,20,25H,(H3,22,24,26)/b23-19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor University
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay |
Bioorg Med Chem 23: 6974-92 (2015)
Article DOI: 10.1016/j.bmc.2015.09.036
BindingDB Entry DOI: 10.7270/Q2T43VX1 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50176545
(3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H19F2N5O3S/c1-10-8-23(9-11(2)27-10)17-13(6-20)15(16(18)19)22-24(17)14-5-4-12(7-21-14)28(3,25)26/h4-5,7,10-11,16H,8-9H2,1-3H3/t10-,11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against COX2 in feline whole blood assay |
Bioorg Med Chem Lett 16: 288-92 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.006
BindingDB Entry DOI: 10.7270/Q2NZ876S |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182345
(2-(5-(3-methyl-4-(oxazol-4-yl)phenyl)-3-(trifluoro...)Show SMILES Cc1cc(ccc1-c1cocn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C20H15F3N4O3S/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50176555
(3-(difluoromethyl)-5-(3-methylpiperidin-1-yl)-1-(5...)Show SMILES CC1CCCN(C1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H19F2N5O2S/c1-11-4-3-7-23(10-11)17-13(8-20)15(16(18)19)22-24(17)14-6-5-12(9-21-14)27(2,25)26/h5-6,9,11,16H,3-4,7,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 288-92 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.006
BindingDB Entry DOI: 10.7270/Q2NZ876S |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179600
(5-(2-fluorobenzylthio)-1-(5-(methylsulfonyl)pyridi...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SCc1ccccc1F)C(F)(F)F Show InChI InChI=1S/C18H12F4N4O2S2/c1-30(27,28)12-6-7-15(24-9-12)26-17(13(8-23)16(25-26)18(20,21)22)29-10-11-4-2-3-5-14(11)19/h2-7,9H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137423
(2-(4-Chloro-3-difluoromethyl-5-phenyl-pyrazol-1-yl...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Cl)c1-c1ccccc1 Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137438
(5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-triflu...)Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O3S/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1 [852-1142]
(Homo sapiens (Human)) | BDBM185701
(US9161939, 2 | US9271981, 2)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)NC2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.28,1.54,;-4.94,.77,;-3.61,1.54,;-3.61,3.08,;-2.28,3.85,;-.94,3.08,;.39,3.85,;1.72,3.08,;.95,1.75,;2.49,1.75,;3.06,3.85,;4.39,3.08,;4.79,1.59,;6.28,1.99,;5.88,3.48,;-.94,1.54,;-2.28,.77,;-4.94,-.77,;-6.28,-1.54,;-6.28,-3.08,;-4.94,-3.85,;-3.61,-3.08,;-2.28,-3.85,;-.94,-3.08,;-.94,-1.54,;-3.61,-1.54,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9271981 (2016)
BindingDB Entry DOI: 10.7270/Q2VD6X90 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM185701
(US9161939, 2 | US9271981, 2)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)NC2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.28,1.54,;-4.94,.77,;-3.61,1.54,;-3.61,3.08,;-2.28,3.85,;-.94,3.08,;.39,3.85,;1.72,3.08,;.95,1.75,;2.49,1.75,;3.06,3.85,;4.39,3.08,;4.79,1.59,;6.28,1.99,;5.88,3.48,;-.94,1.54,;-2.28,.77,;-4.94,-.77,;-6.28,-1.54,;-6.28,-3.08,;-4.94,-3.85,;-3.61,-3.08,;-2.28,-3.85,;-.94,-3.08,;-.94,-1.54,;-3.61,-1.54,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9161939 (2015)
BindingDB Entry DOI: 10.7270/Q2CC0ZF7 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182335
(2-(5-(3-fluoro-4-(furan-2-yl)phenyl)-3-(trifluorom...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(F)c1)C(F)(F)F Show InChI InChI=1S/C20H13F4N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Canis familiaris) | BDBM50137420
(2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O3S/c1-3-27-13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-24(15)17-9-8-14(11-22-17)28(2,25)26/h4-11H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 1. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182351
(2-(5-(3-chloro-4-(thiazol-4-yl)phenyl)-3-(trifluor...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2cscn2)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C19H12ClF3N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)11-2-4-13(14(20)6-11)15-9-30-10-25-15/h2-10H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179631
(5-(sec-butylthio)-1-(5-(methylsulfonyl)pyridin-2-y...)Show SMILES CCC(C)Sc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H15F3N4O2S2/c1-4-9(2)25-14-11(7-19)13(15(16,17)18)21-22(14)12-6-5-10(8-20-12)26(3,23)24/h5-6,8-9H,4H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179598
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(propylthio)-...)Show SMILES CCCSc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N4O2S2/c1-3-6-24-13-10(7-18)12(14(15,16)17)20-21(13)11-5-4-9(8-19-11)25(2,22)23/h4-5,8H,3,6H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137442
(2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...)Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50128810
(CHEMBL3629192)Show SMILES NC(=S)N\N=C(/c1ccccc1)c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C28H21N3O2S/c29-28(34)31-30-25(19-10-4-1-5-11-19)22-16-23(26(32)20-12-6-2-7-13-20)18-24(17-22)27(33)21-14-8-3-9-15-21/h1-18H,(H3,29,31,34)/b30-25+ | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor University
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay |
Bioorg Med Chem 23: 6974-92 (2015)
Article DOI: 10.1016/j.bmc.2015.09.036
BindingDB Entry DOI: 10.7270/Q2T43VX1 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182334
(2-(3-(difluoromethyl)-5-(3-fluoro-4-(furan-2-yl)ph...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(F)c1)C(F)F Show InChI InChI=1S/C20H14F3N3O3S/c1-30(27,28)13-5-7-19(24-11-13)26-17(10-16(25-26)20(22)23)12-4-6-14(15(21)9-12)18-3-2-8-29-18/h2-11,20H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179609
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(phenylthio)-...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1Sc1ccccc1)C(F)(F)F Show InChI InChI=1S/C17H11F3N4O2S2/c1-28(25,26)12-7-8-14(22-10-12)24-16(27-11-5-3-2-4-6-11)13(9-21)15(23-24)17(18,19)20/h2-8,10H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137435
(2-(4-Chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-y...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(Cl)c1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)11-7-8-12(21-9-11)23-14(10-5-3-2-4-6-10)13(17)15(22-23)16(18,19)20/h2-9H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137439
(2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl...)Show SMILES COc1ccc(-c2cc(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H13F4N3O3S/c1-27-10-3-5-12(13(18)7-10)14-8-15(17(19,20)21)23-24(14)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179596
(5-(cyclopentylmethoxy)-1-(5-(methylsulfonyl)pyridi...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCCC1)C(F)(F)F Show InChI InChI=1S/C17H17F3N4O3S/c1-28(25,26)12-6-7-14(22-9-12)24-16(27-10-11-4-2-3-5-11)13(8-21)15(23-24)17(18,19)20/h6-7,9,11H,2-5,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137424
(2-[4-Chloro-5-(3-chloro-4-methoxy-phenyl)-3-difluo...)Show SMILES COc1ccc(cc1Cl)-c1c(Cl)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H13Cl2F2N3O3S/c1-27-12-5-3-9(7-11(12)18)16-14(19)15(17(20)21)23-24(16)13-6-4-10(8-22-13)28(2,25)26/h3-8,17H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50176552
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-((tetrahydrof...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CCCO1)C(F)(F)F Show InChI InChI=1S/C16H16F3N5O3S/c1-28(25,26)11-4-5-13(21-9-11)24-15(22-8-10-3-2-6-27-10)12(7-20)14(23-24)16(17,18)19/h4-5,9-10,22H,2-3,6,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 288-92 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.006
BindingDB Entry DOI: 10.7270/Q2NZ876S |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137411
(2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H15F2N3O3S/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182346
(2-(5-(3-methyl-4-(oxazol-2-yl)phenyl)-3-(trifluoro...)Show SMILES Cc1cc(ccc1-c1ncco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C20H15F3N4O3S/c1-12-9-13(3-5-15(12)19-24-7-8-30-19)16-10-17(20(21,22)23)26-27(16)18-6-4-14(11-25-18)31(2,28)29/h3-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137437
(5-Methanesulfonyl-2-[5-(4-methylsulfanyl-phenyl)-3...)Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S2/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179611
(5-(cycloheptyloxy)-1-(5-(methylsulfonyl)pyridin-2-...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OC1CCCCCC1)C(F)(F)F Show InChI InChI=1S/C18H19F3N4O3S/c1-29(26,27)13-8-9-15(23-11-13)25-17(28-12-6-4-2-3-5-7-12)14(10-22)16(24-25)18(19,20)21/h8-9,11-12H,2-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50128820
(CHEMBL3629202)Show SMILES NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(c1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C21H16BrN3O3S/c22-16-8-14(7-15(9-16)20(28)13-4-2-6-18(27)11-13)19(24-25-21(23)29)12-3-1-5-17(26)10-12/h1-11,26-27H,(H3,23,25,29)/b24-19+ | 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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor University
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay |
Bioorg Med Chem 23: 6974-92 (2015)
Article DOI: 10.1016/j.bmc.2015.09.036
BindingDB Entry DOI: 10.7270/Q2T43VX1 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [870-1187]
(Homo sapiens (Human)) | BDBM185700
(US10875847, Compound Oclacitinib | US9161939, 1a |...)Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 75.1 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9271981 (2016)
BindingDB Entry DOI: 10.7270/Q2VD6X90 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM185700
(US10875847, Compound Oclacitinib | US9161939, 1a |...)Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 75.1 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Zoetis Services LLC
US Patent
| Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk... |
US Patent US9161939 (2015)
BindingDB Entry DOI: 10.7270/Q2CC0ZF7 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179616
(5-(benzylthio)-1-(5-(methylsulfonyl)pyridin-2-yl)-...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SCc1ccccc1)C(F)(F)F Show InChI InChI=1S/C18H13F3N4O2S2/c1-29(26,27)13-7-8-15(23-10-13)25-17(28-11-12-5-3-2-4-6-12)14(9-22)16(24-25)18(19,20)21/h2-8,10H,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50137427
(2-(4-Bromo-3-difluoromethyl-5-phenyl-pyrazol-1-yl)...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Br)c1-c1ccccc1 Show InChI InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2. |
Bioorg Med Chem Lett 14: 95-8 (2003)
BindingDB Entry DOI: 10.7270/Q25B01WP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179606
(5-(cyclobutylmethoxy)-1-(5-(methylsulfonyl)pyridin...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCC1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O3S/c1-27(24,25)11-5-6-13(21-8-11)23-15(26-9-10-3-2-4-10)12(7-20)14(22-23)16(17,18)19/h5-6,8,10H,2-4,9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179620
(5-((4-methylenecyclohexyl)methoxy)-1-(5-(methylsul...)Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCC(=C)CC1)C(F)(F)F Show InChI InChI=1S/C19H19F3N4O3S/c1-12-3-5-13(6-4-12)11-29-18-15(9-23)17(19(20,21)22)25-26(18)16-8-7-14(10-24-16)30(2,27)28/h7-8,10,13H,1,3-6,11H2,2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50179591
(5-(3-methylbutan-2-yloxy)-1-(5-(methylsulfonyl)pyr...)Show SMILES CC(C)C(C)Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O3S/c1-9(2)10(3)26-15-12(7-20)14(16(17,18)19)22-23(15)13-6-5-11(8-21-13)27(4,24)25/h5-6,8-10H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by canine whole blood assay |
Bioorg Med Chem Lett 16: 1202-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50182333
(2-(5-(3-methyl-4-(thiazol-4-yl)phenyl)-3-(trifluor...)Show SMILES Cc1cc(ccc1-c1cscn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C20H15F3N4O2S2/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 2076-80 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Canis familiaris) | BDBM50176557
(5-(3,5-dimethylpiperidin-1-yl)-1-(5-(methylsulfony...)Show SMILES CC1CC(C)CN(C1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H20F3N5O2S/c1-11-6-12(2)10-25(9-11)17-14(7-22)16(18(19,20)21)24-26(17)15-5-4-13(8-23-15)29(3,27)28/h4-5,8,11-12H,6,9-10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against COX2 in canine whole blood |
Bioorg Med Chem Lett 16: 288-92 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.006
BindingDB Entry DOI: 10.7270/Q2NZ876S |
More data for this
Ligand-Target Pair | |
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