Found 71 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278942
(CHEMBL499905 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1ccc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279256
(CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O |r| Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278998
(CHEMBL504926 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc(Cn2c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C30H29ClN2O6S/c1-4-5-16-39-24-11-13-25(14-12-24)40(36,37)32-28(30(34)35)18-26-20(2)33(29-15-8-22(31)17-27(26)29)19-21-6-9-23(38-3)10-7-21/h6-15,17,28,32H,16,18-19H2,1-3H3,(H,34,35) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279026
(CHEMBL505719 | rac-3-(1-benzyl-5-methoxy-2-methyl-...)Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H30N2O6S/c1-4-5-17-38-23-11-14-25(15-12-23)39(35,36)31-28(30(33)34)19-26-21(2)32(20-22-9-7-6-8-10-22)29-16-13-24(37-3)18-27(26)29/h6-16,18,28,31H,17,19-20H2,1-3H3,(H,33,34) | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50279256
(CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O |r| Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279067
(CHEMBL507022 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1cccc(Cn2c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3cc(OC)ccc23)c1 Show InChI InChI=1S/C31H32N2O7S/c1-5-6-16-40-23-10-13-26(14-11-23)41(36,37)32-29(31(34)35)19-27-21(2)33(20-22-8-7-9-24(17-22)38-3)30-15-12-25(39-4)18-28(27)30/h7-15,17-18,29,32H,16,19-20H2,1-4H3,(H,34,35) | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279255
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methyl...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(C)cc12)C(O)=O Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279110
(CHEMBL498806 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3ccc(Cl)cc3)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H29ClN2O6S/c1-4-5-16-39-23-10-13-25(14-11-23)40(36,37)32-28(30(34)35)18-26-20(2)33(19-21-6-8-22(31)9-7-21)29-15-12-24(38-3)17-27(26)29/h6-15,17,28,32H,16,18-19H2,1-3H3,(H,34,35) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278996
(CHEMBL497904 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c(C)n(CC(C)C)c2ccc(Cl)cc12)C(O)=O Show InChI InChI=1S/C26H29ClN2O5S/c1-5-6-13-34-20-8-10-21(11-9-20)35(32,33)28-24(26(30)31)15-22-18(4)29(16-17(2)3)25-12-7-19(27)14-23(22)25/h7-12,14,17,24,28H,13,15-16H2,1-4H3,(H,30,31) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279071
(CHEMBL503326 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3ccccc3F)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H29FN2O6S/c1-4-5-16-39-22-10-13-24(14-11-22)40(36,37)32-28(30(34)35)18-25-20(2)33(19-21-8-6-7-9-27(21)31)29-15-12-23(38-3)17-26(25)29/h6-15,17,28,32H,16,18-19H2,1-3H3,(H,34,35) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279109
(CHEMBL524912 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3ccc(F)cc3)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H29FN2O6S/c1-4-5-16-39-23-10-13-25(14-11-23)40(36,37)32-28(30(34)35)18-26-20(2)33(19-21-6-8-22(31)9-7-21)29-15-12-24(38-3)17-27(26)29/h6-15,17,28,32H,16,18-19H2,1-3H3,(H,34,35) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279028
(CHEMBL503835 | rac-3-(1-(benzo[d][1,3]dioxol-5-ylm...)Show SMILES COc1ccc2n(Cc3ccc4OCOc4c3)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C31H30N2O8S/c1-4-5-14-39-22-7-10-24(11-8-22)42(36,37)32-27(31(34)35)17-25-20(2)33(28-12-9-23(38-3)16-26(25)28)18-21-6-13-29-30(15-21)41-19-40-29/h6-13,15-16,27,32H,14,17-19H2,1-3H3,(H,34,35) | 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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279152
(CHEMBL525434 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12)C(O)=O Show InChI InChI=1S/C29H26Cl2N2O5S/c1-3-4-15-38-23-10-12-24(13-11-23)39(36,37)32-27(29(34)35)17-25-19(2)33(18-20-5-7-21(30)8-6-20)28-14-9-22(31)16-26(25)28/h5-14,16,27,32H,15,17-18H2,1-2H3,(H,34,35) | 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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279108
(CHEMBL499633 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3cccc(F)c3)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H29FN2O6S/c1-4-5-15-39-23-9-12-25(13-10-23)40(36,37)32-28(30(34)35)18-26-20(2)33(19-21-7-6-8-22(31)16-21)29-14-11-24(38-3)17-27(26)29/h6-14,16-17,28,32H,15,18-19H2,1-3H3,(H,34,35) | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279153
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(1-(3-cya...)Show SMILES COc1ccc2n(Cc3cccc(c3)C#N)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C31H29N3O6S/c1-4-5-15-40-24-9-12-26(13-10-24)41(37,38)33-29(31(35)36)18-27-21(2)34(20-23-8-6-7-22(16-23)19-32)30-14-11-25(39-3)17-28(27)30/h6-14,16-17,29,33H,15,18,20H2,1-3H3,(H,35,36) | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279154
(CHEMBL500691 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3ccc(cc3)C#N)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C31H29N3O6S/c1-4-5-16-40-24-10-13-26(14-11-24)41(37,38)33-29(31(35)36)18-27-21(2)34(20-23-8-6-22(19-32)7-9-23)30-15-12-25(39-3)17-28(27)30/h6-15,17,29,33H,16,18,20H2,1-3H3,(H,35,36) | 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 | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279069
(CHEMBL449253 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3ccc(OC(F)(F)F)cc3)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C31H29F3N2O7S/c1-4-5-16-42-22-10-13-25(14-11-22)44(39,40)35-28(30(37)38)18-26-20(2)36(29-15-12-24(41-3)17-27(26)29)19-21-6-8-23(9-7-21)43-31(32,33)34/h6-15,17,28,35H,16,18-19H2,1-3H3,(H,37,38) | 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 | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279068
(CHEMBL504122 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3ccccc3OC(F)(F)F)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C31H29F3N2O7S/c1-4-5-16-42-22-10-13-24(14-11-22)44(39,40)35-27(30(37)38)18-25-20(2)36(28-15-12-23(41-3)17-26(25)28)19-21-8-6-7-9-29(21)43-31(32,33)34/h6-15,17,27,35H,16,18-19H2,1-3H3,(H,37,38) | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278888
(CHEMBL526567 | D-3-(1-(4-(allyloxy)benzyl)-1H-indo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccc(OCC=C)cc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C31H30N2O6S/c1-3-5-19-39-26-14-16-27(17-15-26)40(36,37)32-29(31(34)35)20-24-22-33(30-9-7-6-8-28(24)30)21-23-10-12-25(13-11-23)38-18-4-2/h4,6-17,22,29,32H,2,18-21H2,1H3,(H,34,35)/t29-/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 | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279343
(CHEMBL487755 | rac-3-(5-bromo-1H-indol-3-yl)-2-(4-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(Br)cc12)C(O)=O Show InChI InChI=1S/C21H19BrN2O5S/c1-2-3-10-29-16-5-7-17(8-6-16)30(27,28)24-20(21(25)26)11-14-13-23-19-9-4-15(22)12-18(14)19/h4-9,12-13,20,23-24H,10-11H2,1H3,(H,25,26) | 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 | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278997
(CHEMBL525641 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc(Cn2cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3cc(C)ccc23)cc1 Show InChI InChI=1S/C30H30N2O6S/c1-4-5-16-38-25-11-13-26(14-12-25)39(35,36)31-28(30(33)34)18-23-20-32(29-15-6-21(2)17-27(23)29)19-22-7-9-24(37-3)10-8-22/h6-15,17,20,28,31H,16,18-19H2,1-3H3,(H,33,34) | 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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279025
(CHEMBL525730 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(C)c(C)c(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C24H26N2O6S/c1-5-6-13-32-17-7-10-19(11-8-17)33(29,30)25-22(24(27)28)15-20-16(2)26(3)23-12-9-18(31-4)14-21(20)23/h7-12,14,22,25H,13,15H2,1-4H3,(H,27,28) | 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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279416
(CHEMBL452642 | D-3-(1-(biphenyl-2-ylmethyl)-1H-ind...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccccc2-c2ccccc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C34H30N2O5S/c1-2-3-21-41-28-17-19-29(20-18-28)42(39,40)35-32(34(37)38)22-27-24-36(33-16-10-9-15-31(27)33)23-26-13-7-8-14-30(26)25-11-5-4-6-12-25/h4-20,24,32,35H,21-23H2,1H3,(H,37,38)/t32-/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 | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278889
(CHEMBL506243 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1cc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc(OC)c1 |r| Show InChI InChI=1S/C30H30N2O7S/c1-4-5-14-39-23-10-12-26(13-11-23)40(35,36)31-28(30(33)34)17-22-20-32(29-9-7-6-8-27(22)29)19-21-15-24(37-2)18-25(16-21)38-3/h6-13,15-16,18,20,28,31H,14,17,19H2,1-3H3,(H,33,34)/t28-/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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278974
(CHEMBL524470 | L-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1ccc(Cn2cc(C[C@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/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 | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278995
(CHEMBL497738 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(CC(C)C)cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C26H30N2O6S/c1-5-6-13-34-20-7-10-22(11-8-20)35(31,32)27-24(26(29)30)14-19-17-28(16-18(2)3)25-12-9-21(33-4)15-23(19)25/h7-12,15,17-18,24,27H,13-14,16H2,1-4H3,(H,29,30) | 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 | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279414
(CHEMBL523616 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(CCCCOc2ccccc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C31H32N2O6S/c1-2-3-20-38-26-15-17-27(18-16-26)40(36,37)32-29(31(34)35)22-24-23-33(30-14-8-7-13-28(24)30)19-9-10-21-39-25-11-5-4-6-12-25/h4-8,11-18,23,29,32H,9-10,19-22H2,1H3,(H,34,35)/t29-/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 | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50279257
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26) | 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 | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279377
(CHEMBL487139 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(C)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C22H22N2O5S/c1-3-4-13-29-17-9-11-18(12-10-17)30(27,28)23-20(22(25)26)14-16-15-24(2)21-8-6-5-7-19(16)21/h5-12,15,20,23H,13-14H2,1-2H3,(H,25,26)/t20-/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 | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50278942
(CHEMBL499905 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1ccc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/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 | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279027
(CHEMBL449262 | rac-3-(1-(benzo[d][1,3]dioxol-5-ylm...)Show SMILES COc1ccc2n(Cc3ccc4OCOc4c3)cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H28N2O8S/c1-3-4-13-38-22-6-9-24(10-7-22)41(35,36)31-26(30(33)34)15-21-18-32(27-11-8-23(37-2)16-25(21)27)17-20-5-12-28-29(14-20)40-19-39-28/h5-12,14,16,18,26,31H,13,15,17,19H2,1-2H3,(H,33,34) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279341
(CHEMBL520686 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(F)cc12)C(O)=O Show InChI InChI=1S/C21H19FN2O5S/c1-2-3-10-29-16-5-7-17(8-6-16)30(27,28)24-20(21(25)26)11-14-13-23-19-9-4-15(22)12-18(14)19/h4-9,12-13,20,23-24H,10-11H2,1H3,(H,25,26) | 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 | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279375
(CHEMBL487138 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2cc(C)ccc12)C(O)=O Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-12-15(2)5-10-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26) | 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 | 1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279342
(CHEMBL519909 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O Show InChI InChI=1S/C21H20N2O6S/c1-2-3-10-29-16-5-7-17(8-6-16)30(27,28)23-20(21(25)26)11-14-13-22-19-9-4-15(24)12-18(14)19/h4-9,12-13,20,22-24H,10-11H2,1H3,(H,25,26) | 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 | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279413
(CHEMBL520816 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(CC2CCC2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C26H28N2O5S/c1-2-3-15-33-21-11-13-22(14-12-21)34(31,32)27-24(26(29)30)16-20-18-28(17-19-7-6-8-19)25-10-5-4-9-23(20)25/h4-5,9-14,18-19,24,27H,6-8,15-17H2,1H3,(H,29,30)/t24-/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 | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50279256
(CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O |r| Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278940
(CHEMBL525428 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C28H25FN2O5S/c1-2-3-16-36-23-12-14-24(15-13-23)37(34,35)30-26(28(32)33)17-21-19-31(27-7-5-4-6-25(21)27)18-20-8-10-22(29)11-9-20/h4-15,19,26,30H,16-18H2,1H3,(H,32,33)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279415
(CHEMBL483952 | D-3-(1-benzyl-1H-indol-3-yl)-2-(4-(...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccccc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C28H26N2O5S/c1-2-3-17-35-23-13-15-24(16-14-23)36(33,34)29-26(28(31)32)18-22-20-30(19-21-9-5-4-6-10-21)27-12-8-7-11-25(22)27/h4-16,20,26,29H,17-19H2,1H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279029
(CHEMBL526385 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1cccc(Cn2cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3cc(OC)ccc23)c1 Show InChI InChI=1S/C30H30N2O7S/c1-4-5-15-39-23-9-12-26(13-10-23)40(35,36)31-28(30(33)34)17-22-20-32(19-21-7-6-8-24(16-21)37-2)29-14-11-25(38-3)18-27(22)29/h6-14,16,18,20,28,31H,15,17,19H2,1-3H3,(H,33,34) | 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 | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279070
(CHEMBL507280 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES COc1ccc2n(Cc3ccccc3F)cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C29H27FN2O6S/c1-3-4-15-38-22-9-12-24(13-10-22)39(35,36)31-27(29(33)34)16-21-19-32(18-20-7-5-6-8-26(20)30)28-14-11-23(37-2)17-25(21)28/h5-14,17,19,27,31H,15-16,18H2,1-2H3,(H,33,34) | 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 | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278913
(CHEMBL502558 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2cccc(c2)C(F)(F)F)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C29H25F3N2O5S/c1-2-3-15-39-23-11-13-24(14-12-23)40(37,38)33-26(28(35)36)17-21-19-34(27-10-5-4-9-25(21)27)18-20-7-6-8-22(16-20)29(30,31)32/h4-14,16,19,26,33H,15,17-18H2,1H3,(H,35,36)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279412
(CHEMBL484617 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CCCCCn1cc(C[C@@H](NS(=O)(=O)c2ccc(OCC#CC)cc2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C26H30N2O5S/c1-3-5-9-16-28-19-20(23-10-7-8-11-25(23)28)18-24(26(29)30)27-34(31,32)22-14-12-21(13-15-22)33-17-6-4-2/h7-8,10-15,19,24,27H,3,5,9,16-18H2,1-2H3,(H,29,30)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279221
(CHEMBL498058 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C21H20N2O5S/c1-2-3-12-28-16-8-10-17(11-9-16)29(26,27)23-20(21(24)25)13-15-14-22-19-7-5-4-6-18(15)19/h4-11,14,20,22-23H,12-13H2,1H3,(H,24,25)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279374
(CHEMBL521238 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C21H19FN2O5S/c1-2-3-10-29-16-5-7-17(8-6-16)30(27,28)24-20(21(25)26)11-14-13-23-19-12-15(22)4-9-18(14)19/h4-9,12-13,20,23-24H,10-11H2,1H3,(H,25,26) | 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 | 2.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50279287
(3-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynylox...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O Show InChI InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32) | 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 | 3.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278941
(CHEMBL524677 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C28H25ClN2O5S/c1-2-3-16-36-23-12-14-24(15-13-23)37(34,35)30-26(28(32)33)17-21-19-31(27-7-5-4-6-25(21)27)18-20-8-10-22(29)11-9-20/h4-15,19,26,30H,16-18H2,1H3,(H,32,33)/t26-/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 | 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278915
(CHEMBL501213 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccc(C)cc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C29H28N2O5S/c1-3-4-17-36-24-13-15-25(16-14-24)37(34,35)30-27(29(32)33)18-23-20-31(28-8-6-5-7-26(23)28)19-22-11-9-21(2)10-12-22/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/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 | 3.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279376
(CHEMBL520548 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C26H28N2O7S/c1-5-6-15-34-19-11-13-20(14-12-19)36(32,33)27-22(24(29)30)16-18-17-28(25(31)35-26(2,3)4)23-10-8-7-9-21(18)23/h7-14,17,22,27H,15-16H2,1-4H3,(H,29,30)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278914
(CHEMBL524726 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccc(cc2)C(F)(F)F)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C29H25F3N2O5S/c1-2-3-16-39-23-12-14-24(15-13-23)40(37,38)33-26(28(35)36)17-21-19-34(27-7-5-4-6-25(21)27)18-20-8-10-22(11-9-20)29(30,31)32/h4-15,19,26,33H,16-18H2,1H3,(H,35,36)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50279287
(3-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynylox...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O Show InChI InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32) | PDB
MMDB
NCI pathway
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 | 4.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50278942
(CHEMBL499905 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1ccc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/m1/s1 | 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 | 4.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50279256
(CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O |r| Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279287
(3-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynylox...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O Show InChI InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32) | 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 | 6.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279287
(3-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynylox...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O Show InChI InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32) | 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 | 6.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Mus musculus (Mouse)) | BDBM50279256
(CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O |r| Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs... |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279220
(CHEMBL522567 | L-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C21H20N2O5S/c1-2-3-12-28-16-8-10-17(11-9-16)29(26,27)23-20(21(24)25)13-15-14-22-19-7-5-4-6-18(15)19/h4-11,14,20,22-23H,12-13H2,1H3,(H,24,25)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279257
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26) | 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 | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50279257
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26) | 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 | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50278942
(CHEMBL499905 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1ccc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50279257
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
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 | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50279287
(3-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynylox...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O Show InChI InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50279257
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50279257
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50279287
(3-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynylox...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O Show InChI InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50279256
(CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O |r| Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50278942
(CHEMBL499905 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1ccc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 by FLIPR assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Mus musculus (Mouse)) | BDBM50279257
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs... |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278977
(CHEMBL524915 | rac-1-benzyl-3-(2-(4-(but-2-ynyloxy...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1cn(Cc2ccccc2)c2ccc(cc12)C(O)=O)C(O)=O Show InChI InChI=1S/C29H26N2O7S/c1-2-3-15-38-23-10-12-24(13-11-23)39(36,37)30-26(29(34)35)17-22-19-31(18-20-7-5-4-6-8-20)27-14-9-21(28(32)33)16-25(22)27/h4-14,16,19,26,30H,15,17-18H2,1H3,(H,32,33)(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278976
(CHEMBL498054 | rac-3-(2-(4-(but-2-ynyloxy)phenylsu...)Show SMILES CCn1cc(CC(NS(=O)(=O)c2ccc(OCC#CC)cc2)C(O)=O)c2cc(ccc12)C(O)=O Show InChI InChI=1S/C24H24N2O7S/c1-3-5-12-33-18-7-9-19(10-8-18)34(31,32)25-21(24(29)30)14-17-15-26(4-2)22-11-6-16(23(27)28)13-20(17)22/h6-11,13,15,21,25H,4,12,14H2,1-2H3,(H,27,28)(H,29,30) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50278975
(CHEMBL496859 | rac-3-(2-(4-(but-2-ynyloxy)phenylsu...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1cn(C)c2ccc(cc12)C(O)=O)C(O)=O Show InChI InChI=1S/C23H22N2O7S/c1-3-4-11-32-17-6-8-18(9-7-17)33(30,31)24-20(23(28)29)13-16-14-25(2)21-10-5-15(22(26)27)12-19(16)21/h5-10,12,14,20,24H,11,13H2,1-2H3,(H,26,27)(H,28,29) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Mus musculus (Mouse)) | BDBM50278942
(CHEMBL499905 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)Show SMILES COc1ccc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs... |
Bioorg Med Chem 17: 3857-65 (2009)
Article DOI: 10.1016/j.bmc.2009.04.033
BindingDB Entry DOI: 10.7270/Q2DR2VCZ |
More data for this
Ligand-Target Pair | |
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