Found 56 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)) | BDBM50168742
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(quinolin-8-ylmeth...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)12-4-14-26(21(23)22(27)25-29)33(30,31)19-10-8-18(9-11-19)32-15-17-6-2-5-16-7-3-13-24-20(16)17/h2-3,5-11,13,21,28-29H,4,12,14-15H2,1H3,(H,25,27)/t21-,23+/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 | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50168737
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-8 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168743
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168758
((2R,3S)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)Show SMILES CC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168738
((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-4-5-16(22)12-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168752
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...)Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H26N2O6S/c1-15-6-3-4-7-16(15)14-29-17-8-10-18(11-9-17)30(27,28)23-13-5-12-21(2,25)19(23)20(24)22-26/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1 | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168756
((2R,3R)-3-Hydroxy-1-[4-(isoquinolin-8-ylmethoxy)-b...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3ccncc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)11-3-13-26(21(23)22(27)25-29)33(30,31)19-8-6-18(7-9-19)32-15-17-5-2-4-16-10-12-24-14-20(16)17/h2,4-10,12,14,21,28-29H,3,11,13,15H2,1H3,(H,25,27)/t21-,23+/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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168741
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168747
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-pyridin-...)Show SMILES Cc1ncccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C20H25N3O6S/c1-14-15(5-3-11-21-14)13-29-16-6-8-17(9-7-16)30(27,28)23-12-4-10-20(2,25)18(23)19(24)22-26/h3,5-9,11,18,25-26H,4,10,12-13H2,1-2H3,(H,22,24)/t18-,20+/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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50168737
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-2 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50168737
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-3 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168749
((2R,3R)-1-[4-(2-Chloro-pyridin-4-ylmethoxy)-benzen...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccnc(Cl)c2)cc1 Show InChI InChI=1S/C19H22ClN3O6S/c1-19(25)8-2-10-23(17(19)18(24)22-26)30(27,28)15-5-3-14(4-6-15)29-12-13-7-9-21-16(20)11-13/h3-7,9,11,17,25-26H,2,8,10,12H2,1H3,(H,22,24)/t17-,19+/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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168754
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(pyridin-4-ylmetho...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccncc2)cc1 Show InChI InChI=1S/C19H23N3O6S/c1-19(24)9-2-12-22(17(19)18(23)21-25)29(26,27)16-5-3-15(4-6-16)28-13-14-7-10-20-11-8-14/h3-8,10-11,17,24-25H,2,9,12-13H2,1H3,(H,21,23)/t17-,19+/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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168748
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | 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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168745
(CHEMBL183474 | i(2R,3R)-1-[4-(2-Chloro-benzyloxy)-...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | 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 | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50168737
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha releasein LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168743
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50168737
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-9 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168755
((2R,3S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168748
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168748
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168744
((2R,3R)-3-Hydroxy-1-[4-(2-methoxy-benzyloxy)-benze...)Show SMILES COc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H26N2O7S/c1-21(25)12-5-13-23(19(21)20(24)22-26)31(27,28)17-10-8-16(9-11-17)30-14-15-6-3-4-7-18(15)29-2/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168739
((2R,3R)-1-[4-(3-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168741
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168746
((2R,3R)-1-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168751
((2R,3R)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)Show SMILES CC[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Rattus norvegicus) | BDBM50168740
((2R,3S)-3-Butyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)Show SMILES CCCC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H29FN2O6S/c1-2-3-13-23(28)14-4-15-26(21(23)22(27)25-29)33(30,31)20-11-9-19(10-12-20)32-16-17-5-7-18(24)8-6-17/h5-12,21,28-29H,2-4,13-16H2,1H3,(H,25,27)/t21-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against rat TACE |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168753
((2R,3R)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2F)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168750
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(pyrazin-2-ylmetho...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cnccn2)cc1 Show InChI InChI=1S/C18H22N4O6S/c1-18(24)7-2-10-22(16(18)17(23)21-25)29(26,27)15-5-3-14(4-6-15)28-12-13-11-19-8-9-20-13/h3-6,8-9,11,16,24-25H,2,7,10,12H2,1H3,(H,21,23)/t16-,18+/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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168757
((2R,3R)-1-[4-(4-Chloro-2-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2F)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(21)11-17(13)22/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50168737
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-14 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50168759
((2R,3R)-1-[4-(2-Cyano-benzyloxy)-benzenesulfonyl]-...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1 Show InChI InChI=1S/C21H23N3O6S/c1-21(26)11-4-12-24(19(21)20(25)23-27)31(28,29)18-9-7-17(8-10-18)30-14-16-6-3-2-5-15(16)13-22/h2-3,5-10,19,26-27H,4,11-12,14H2,1H3,(H,23,25)/t19-,21+/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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168757
((2R,3R)-1-[4-(4-Chloro-2-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2F)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(21)11-17(13)22/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168742
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(quinolin-8-ylmeth...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)12-4-14-26(21(23)22(27)25-29)33(30,31)19-10-8-18(9-11-19)32-15-17-6-2-5-16-7-3-13-24-20(16)17/h2-3,5-11,13,21,28-29H,4,12,14-15H2,1H3,(H,25,27)/t21-,23+/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168753
((2R,3R)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2F)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168754
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(pyridin-4-ylmetho...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccncc2)cc1 Show InChI InChI=1S/C19H23N3O6S/c1-19(24)9-2-12-22(17(19)18(23)21-25)29(26,27)16-5-3-15(4-6-16)28-13-14-7-10-20-11-8-14/h3-8,10-11,17,24-25H,2,9,12-13H2,1H3,(H,21,23)/t17-,19+/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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168741
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168745
(CHEMBL183474 | i(2R,3R)-1-[4-(2-Chloro-benzyloxy)-...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168752
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...)Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H26N2O6S/c1-15-6-3-4-7-16(15)14-29-17-8-10-18(11-9-17)30(27,28)23-13-5-12-21(2,25)19(23)20(24)22-26/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1 | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168737
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1 | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168739
((2R,3R)-1-[4-(3-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168748
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168748
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1 | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168751
((2R,3R)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)Show SMILES CC[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21+/m0/s1 | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168749
((2R,3R)-1-[4-(2-Chloro-pyridin-4-ylmethoxy)-benzen...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccnc(Cl)c2)cc1 Show InChI InChI=1S/C19H22ClN3O6S/c1-19(25)8-2-10-23(17(19)18(24)22-26)30(27,28)15-5-3-14(4-6-15)29-12-13-7-9-21-16(20)11-13/h3-7,9,11,17,25-26H,2,8,10,12H2,1H3,(H,22,24)/t17-,19+/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 | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168738
((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-4-5-16(22)12-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | 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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168746
((2R,3R)-1-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/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 | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168758
((2R,3S)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)Show SMILES CC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21-/m0/s1 | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168755
((2R,3S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES C[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20-/m0/s1 | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168743
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168750
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(pyrazin-2-ylmetho...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cnccn2)cc1 Show InChI InChI=1S/C18H22N4O6S/c1-18(24)7-2-10-22(16(18)17(23)21-25)29(26,27)15-5-3-14(4-6-15)28-12-13-11-19-8-9-20-13/h3-6,8-9,11,16,24-25H,2,7,10,12H2,1H3,(H,21,23)/t16-,18+/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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168747
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-pyridin-...)Show SMILES Cc1ncccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C20H25N3O6S/c1-14-15(5-3-11-21-14)13-29-16-6-8-17(9-7-16)30(27,28)23-12-4-10-20(2,25)18(23)19(24)22-26/h3,5-9,11,18,25-26H,4,10,12-13H2,1-2H3,(H,22,24)/t18-,20+/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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168744
((2R,3R)-3-Hydroxy-1-[4-(2-methoxy-benzyloxy)-benze...)Show SMILES COc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H26N2O7S/c1-21(25)12-5-13-23(19(21)20(24)22-26)31(27,28)17-10-8-16(9-11-17)30-14-15-6-3-4-7-18(15)29-2/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168759
((2R,3R)-1-[4-(2-Cyano-benzyloxy)-benzenesulfonyl]-...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1 Show InChI InChI=1S/C21H23N3O6S/c1-21(26)11-4-12-24(19(21)20(25)23-27)31(28,29)18-9-7-17(8-10-18)30-14-16-6-3-2-5-15(16)13-22/h2-3,5-10,19,26-27H,4,11-12,14H2,1H3,(H,23,25)/t19-,21+/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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168740
((2R,3S)-3-Butyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)Show SMILES CCCC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H29FN2O6S/c1-2-3-13-23(28)14-4-15-26(21(23)22(27)25-29)33(30,31)20-11-9-19(10-12-20)32-16-17-5-7-18(24)8-6-17/h5-12,21,28-29H,2-4,13-16H2,1H3,(H,25,27)/t21-,23-/m0/s1 | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50168756
((2R,3R)-3-Hydroxy-1-[4-(isoquinolin-8-ylmethoxy)-b...)Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3ccncc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)11-3-13-26(21(23)22(27)25-29)33(30,31)19-8-6-18(7-9-19)32-15-17-5-2-4-16-10-12-24-14-20(16)17/h2,4-10,12,14,21,28-29H,3,11,13,15H2,1H3,(H,25,27)/t21-,23+/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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MMP-1 |
Bioorg Med Chem Lett 15: 3385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC |
More data for this
Ligand-Target Pair | |
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