Found 569 hits with Last Name = 'condon' and Initial = 'j' 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11867
(CHEMBL234350 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O5S/c30-26(28-31)27(16-19-29(20-17-27)18-15-22-7-3-1-4-8-22)21-35(32,33)25-13-11-24(12-14-25)34-23-9-5-2-6-10-23/h1-14,31H,15-21H2,(H,28,30) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394655
(US10308615, Example 12 | preparation of {2-[(pyrid...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM26526
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Pantetheinase
(Homo sapiens (Human)) | BDBM394660
(US10308615, Example 17 | preparation of [3-(methyl...)Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197212
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)C(=O)NO Show InChI InChI=1S/C23H30N4O7S2/c1-5-6-15-34-19-7-9-20(10-8-19)35(30,31)16-23(22(28)25-29)11-13-27(14-12-23)36(32,33)21-17(2)24-26(4)18(21)3/h7-10,29H,11-16H2,1-4H3,(H,25,28) | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197234
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(ter...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)(C)C)C(=O)NO Show InChI InChI=1S/C21H30N2O7S2/c1-5-6-15-30-17-7-9-18(10-8-17)31(26,27)16-21(19(24)22-25)11-13-23(14-12-21)32(28,29)20(2,3)4/h7-10,25H,11-16H2,1-4H3,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197215
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)CC1CCCCC1)C(=O)NO Show InChI InChI=1S/C24H34N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h9-12,20,28H,4-8,13-19H2,1H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197236
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCOCC1)C(=O)NO Show InChI InChI=1S/C21H29N3O8S2/c1-2-3-14-32-18-4-6-19(7-5-18)33(27,28)17-21(20(25)22-26)8-10-23(11-9-21)34(29,30)24-12-15-31-16-13-24/h4-7,26H,8-17H2,1H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197214
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(2,5...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1nc(C)sc1C)C(=O)NO Show InChI InChI=1S/C22H27N3O7S3/c1-4-5-14-32-18-6-8-19(9-7-18)34(28,29)15-22(21(26)24-27)10-12-25(13-11-22)35(30,31)20-16(2)33-17(3)23-20/h6-9,27H,10-15H2,1-3H3,(H,24,26) | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197221
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)c1nc2ccccc2n1C)C(=O)NO Show InChI InChI=1S/C25H28N4O5S/c1-3-4-17-34-19-9-11-20(12-10-19)35(32,33)18-25(23(30)27-31)13-15-29(16-14-25)24-26-21-7-5-6-8-22(21)28(24)2/h5-12,31H,13-18H2,1-2H3,(H,27,30) | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197211
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCCC1)C(=O)NO Show InChI InChI=1S/C21H29N3O7S2/c1-2-3-16-31-18-6-8-19(9-7-18)32(27,28)17-21(20(25)22-26)10-14-24(15-11-21)33(29,30)23-12-4-5-13-23/h6-9,26H,4-5,10-17H2,1H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197228
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(2,5...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)NO Show InChI InChI=1S/C21H22Cl2N2O7S3/c1-2-3-12-32-15-4-6-16(7-5-15)34(28,29)14-21(20(26)24-27)8-10-25(11-9-21)35(30,31)17-13-18(22)33-19(17)23/h4-7,13,27H,8-12,14H2,1H3,(H,24,26) | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197227
(1-(benzo[d]oxazol-2-yl)-4-((4-(but-2-ynyloxy)pheny...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)c1nc2ccccc2o1)C(=O)NO Show InChI InChI=1S/C24H25N3O6S/c1-2-3-16-32-18-8-10-19(11-9-18)34(30,31)17-24(22(28)26-29)12-14-27(15-13-24)23-25-20-6-4-5-7-21(20)33-23/h4-11,29H,12-17H2,1H3,(H,26,28) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM11867
(CHEMBL234350 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O5S/c30-26(28-31)27(16-19-29(20-17-27)18-15-22-7-3-1-4-8-22)21-35(32,33)25-13-11-24(12-14-25)34-23-9-5-2-6-10-23/h1-14,31H,15-21H2,(H,28,30) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM395062
((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...)Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197219
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CCC(CC)S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C22H32N2O7S2/c1-4-7-16-31-18-8-10-20(11-9-18)32(27,28)17-22(21(25)23-26)12-14-24(15-13-22)33(29,30)19(5-2)6-3/h8-11,19,26H,5-6,12-17H2,1-3H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197209
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C22H31N3O7S2/c1-2-3-17-32-19-7-9-20(10-8-19)33(28,29)18-22(21(26)23-27)11-15-25(16-12-22)34(30,31)24-13-5-4-6-14-24/h7-10,27H,4-6,11-18H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197222
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)c1ccccn1)C(=O)NO Show InChI InChI=1S/C22H25N3O5S/c1-2-3-16-30-18-7-9-19(10-8-18)31(28,29)17-22(21(26)24-27)11-14-25(15-12-22)20-6-4-5-13-23-20/h4-10,13,27H,11-12,14-17H2,1H3,(H,24,26) | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197233
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C1CCCC1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-2-3-16-31-18-8-10-19(11-9-18)32(27,28)17-22(21(25)23-26)12-14-24(15-13-22)33(29,30)20-6-4-5-7-20/h8-11,20,26H,4-7,12-17H2,1H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197223
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)CN1CCOCC1)C(=O)NO |w:24.26| Show InChI InChI=1S/C24H35N3O8S2/c1-3-4-15-35-21-5-7-22(8-6-21)36(30,31)19-24(23(28)25-29)9-11-27(12-10-24)37(32,33)20(2)18-26-13-16-34-17-14-26/h5-8,20,29H,9-19H2,1-2H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197224
((R)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCC[C@@H]1CO)C(=O)NO Show InChI InChI=1S/C22H31N3O8S2/c1-2-3-15-33-19-6-8-20(9-7-19)34(29,30)17-22(21(27)23-28)10-13-24(14-11-22)35(31,32)25-12-4-5-18(25)16-26/h6-9,18,26,28H,4-5,10-17H2,1H3,(H,23,27)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM23500
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197237
(1-(4-acetylpiperazin-1-ylsulfonyl)-4-((4-(but-2-yn...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C23H32N4O8S2/c1-3-4-17-35-20-5-7-21(8-6-20)36(31,32)18-23(22(29)24-30)9-11-26(12-10-23)37(33,34)27-15-13-25(14-16-27)19(2)28/h5-8,30H,9-18H2,1-2H3,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197208
((S)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H33N3O8S2/c1-3-4-16-34-20-7-9-21(10-8-20)35(29,30)18-23(22(27)24-28)11-14-25(15-12-23)36(31,32)26-13-5-6-19(26)17-33-2/h7-10,19,28H,5-6,11-18H2,1-2H3,(H,24,27)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29923
(US11066414, Comparative Example 1 | substituted 6-...)Show SMILES CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Show InChI InChI=1S/C26H25Cl2FN8/c1-2-36-7-5-20(6-8-36)37-15-19(34-35-37)14-31-18-9-21-25(33-17-3-4-24(29)22(27)10-17)16(12-30)13-32-26(21)23(28)11-18/h3-4,9-11,13,15,20,31H,2,5-8,14H2,1H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197226
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C1CC1)C(=O)NO Show InChI InChI=1S/C20H26N2O7S2/c1-2-3-14-29-16-4-6-17(7-5-16)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)18-8-9-18/h4-7,18,24H,8-15H2,1H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM395062
((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...)Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197220
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(3,5...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1c(Cl)cncc1Cl)C(=O)NO Show InChI InChI=1S/C23H23Cl2N3O6S/c1-2-3-12-34-16-4-6-17(7-5-16)35(32,33)15-23(22(30)27-31)8-10-28(11-9-23)21(29)20-18(24)13-26-14-19(20)25/h4-7,13-14,31H,8-12,15H2,1H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394659
(US10308615, Example 16 | preparation of (2-{[1-(py...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-12(6-14)16(28)13-7-25-17(26-8-13)27-18(4-5-18)15-9-23-11-24-10-15/h1-3,6-11H,4-5H2,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394660
(US10308615, Example 17 | preparation of [3-(methyl...)Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197232
(4-(4-but-2-ynyloxy-benzenesulfonylmethyl)-1-dimeth...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N(C)C)C(=O)NO Show InChI InChI=1S/C19H27N3O7S2/c1-4-5-14-29-16-6-8-17(9-7-16)30(25,26)15-19(18(23)20-24)10-12-22(13-11-19)31(27,28)21(2)3/h6-9,24H,10-15H2,1-3H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394655
(US10308615, Example 12 | preparation of {2-[(pyrid...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29910
(substituted 6-aminoquinoline-3-carbonitrile, 21)Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccccn5)nn4)cc23)C#N)cc1Cl Show InChI InChI=1S/C25H17Cl2FN8/c26-21-8-16(4-5-23(21)28)33-24-15(10-29)11-32-25-20(24)7-18(9-22(25)27)31-12-19-14-36(35-34-19)13-17-3-1-2-6-30-17/h1-9,11,14,31H,12-13H2,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197229
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccncc1)C(=O)NO Show InChI InChI=1S/C23H27N3O7S2/c1-2-3-16-33-20-4-6-21(7-5-20)34(29,30)18-23(22(27)25-28)10-14-26(15-11-23)35(31,32)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394656
(US10308615, Example 13 | [3-(methylsulfonyl)phenyl...)Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)16-6-2-5-14(8-16)17(23)15-11-21-18(22-12-15)20-10-13-4-3-7-19-9-13/h2-9,11-12H,10H2,1H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187794
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-4-6-21(7-5-20)32(29,30)18-23(22(27)25-28)10-14-26(15-11-23)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394645
(3-[(2-{[1-(pyridin-3-yl)cyclopropyl]amino}pyrimidi...)Show SMILES O=C(c1cnc(NC2(CC2)c2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C20H15N5O/c21-10-14-3-1-4-15(9-14)18(26)16-11-23-19(24-12-16)25-20(6-7-20)17-5-2-8-22-13-17/h1-5,8-9,11-13H,6-7H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197225
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(3,5...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1c(C)noc1C)C(=O)NO Show InChI InChI=1S/C22H27N3O8S2/c1-4-5-14-32-18-6-8-19(9-7-18)34(28,29)15-22(21(26)23-27)10-12-25(13-11-22)35(30,31)20-16(2)24-33-17(20)3/h6-9,27H,10-15H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197210
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)CCN1CCOCC1)C(=O)NO Show InChI InChI=1S/C23H33N3O8S2/c1-2-3-15-34-20-4-6-21(7-5-20)35(29,30)19-23(22(27)24-28)8-10-26(11-9-23)36(31,32)18-14-25-12-16-33-17-13-25/h4-7,28H,8-19H2,1H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29922
(substituted 6-aminoquinoline-3-carbonitrile, 33)Show SMILES CN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Show InChI InChI=1S/C25H23Cl2FN8/c1-35-6-4-19(5-7-35)36-14-18(33-34-36)13-30-17-8-20-24(32-16-2-3-23(28)21(26)9-16)15(11-29)12-31-25(20)22(27)10-17/h2-3,8-10,12,14,19,30H,4-7,13H2,1H3,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394659
(US10308615, Example 16 | preparation of (2-{[1-(py...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-12(6-14)16(28)13-7-25-17(26-8-13)27-18(4-5-18)15-9-23-11-24-10-15/h1-3,6-11H,4-5H2,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187795
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197218
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C1CCCCC1)C(=O)NO Show InChI InChI=1S/C23H32N2O7S2/c1-2-3-17-32-19-9-11-20(12-10-19)33(28,29)18-23(22(26)24-27)13-15-25(16-14-23)34(30,31)21-7-5-4-6-8-21/h9-12,21,27H,4-8,13-18H2,1H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394655
(US10308615, Example 12 | preparation of {2-[(pyrid...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29912
(substituted 6-aminoquinoline-3-carbonitrile, 23)Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4ccncc4)cc23)C#N)cc1Cl Show InChI InChI=1S/C24H15Cl2FN8/c25-20-8-15(1-2-22(20)27)32-23-14(10-28)11-31-24-19(23)7-16(9-21(24)26)30-12-17-13-35(34-33-17)18-3-5-29-6-4-18/h1-9,11,13,30H,12H2,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197216
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(1,2...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1cn(C)c(C)n1)C(=O)NO Show InChI InChI=1S/C22H28N4O7S2/c1-4-5-14-33-18-6-8-19(9-7-18)34(29,30)16-22(21(27)24-28)10-12-26(13-11-22)35(31,32)20-15-25(3)17(2)23-20/h6-9,15,28H,10-14,16H2,1-3H3,(H,24,27) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM395070
(US10308615, Example 81 | [4-fluoro-3- (trifluorome...)Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H12F4N4O/c19-15-4-3-12(6-14(15)18(20,21)22)16(27)13-9-25-17(26-10-13)24-8-11-2-1-5-23-7-11/h1-7,9-10H,8H2,(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394648
(3-[(2-{[1-(pyrazin-2-yl)cyclopropyl]amino}pyrimidi...)Show SMILES O=C(c1cnc(NC2(CC2)c2cnccn2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C19H14N6O/c20-9-13-2-1-3-14(8-13)17(26)15-10-23-18(24-11-15)25-19(4-5-19)16-12-21-6-7-22-16/h1-3,6-8,10-12H,4-5H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394650
(3-[(2-{[1-(pyridin-3-yl)ethyl]amino}pyrimidin-5-yl...)Show InChI InChI=1S/C19H15N5O/c1-13(16-6-3-7-21-10-16)24-19-22-11-17(12-23-19)18(25)15-5-2-4-14(8-15)9-20/h2-8,10-13H,1H3,(H,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM395107
(3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...)Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
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