Found 13 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50161327
(CHEMBL362651 | {(R)-3-[(Biphenyl-4-sulfonyl)-isopr...)Show SMILES CC(C)ON([C@H](CCNC(=O)OCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H31N3O7S/c1-20(2)37-30(38(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(26(31)29-33)17-18-28-27(32)36-19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,32)(H,29,31)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50161327
(CHEMBL362651 | {(R)-3-[(Biphenyl-4-sulfonyl)-isopr...)Show SMILES CC(C)ON([C@H](CCNC(=O)OCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H31N3O7S/c1-20(2)37-30(38(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(26(31)29-33)17-18-28-27(32)36-19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,32)(H,29,31)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-14 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50165670
(CHEMBL262397 | N-(3-{(R)-3-[(Biphenyl-4-sulfonyl)-...)Show SMILES CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50165670
(CHEMBL262397 | N-(3-{(R)-3-[(Biphenyl-4-sulfonyl)-...)Show SMILES CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50161327
(CHEMBL362651 | {(R)-3-[(Biphenyl-4-sulfonyl)-isopr...)Show SMILES CC(C)ON([C@H](CCNC(=O)OCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H31N3O7S/c1-20(2)37-30(38(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(26(31)29-33)17-18-28-27(32)36-19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,32)(H,29,31)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50165671
(CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...)Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/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 | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50165670
(CHEMBL262397 | N-(3-{(R)-3-[(Biphenyl-4-sulfonyl)-...)Show SMILES CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50165671
(CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...)Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/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 | 983 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50165671
(CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...)Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-14 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50165672
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-4-(...)Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H50N4O12S2/c1-31(2)61-49(63(57,58)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(53)54)26-28-47-43(51)37-16-11-17-38(30-37)44(52)48-29-27-42(46(55)56)50(62-32(3)4)64(59,60)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42H,26-29H2,1-4H3,(H,47,51)(H,48,52)(H,53,54)(H,55,56)/t41-,42-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50165671
(CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...)Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50165672
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-4-(...)Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H50N4O12S2/c1-31(2)61-49(63(57,58)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(53)54)26-28-47-43(51)37-16-11-17-38(30-37)44(52)48-29-27-42(46(55)56)50(62-32(3)4)64(59,60)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42H,26-29H2,1-4H3,(H,47,51)(H,48,52)(H,53,54)(H,55,56)/t41-,42-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50161327
(CHEMBL362651 | {(R)-3-[(Biphenyl-4-sulfonyl)-isopr...)Show SMILES CC(C)ON([C@H](CCNC(=O)OCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H31N3O7S/c1-20(2)37-30(38(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(26(31)29-33)17-18-28-27(32)36-19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,32)(H,29,31)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 in MMPi assay |
Bioorg Med Chem Lett 15: 2311-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.002
BindingDB Entry DOI: 10.7270/Q26W99MN |
More data for this
Ligand-Target Pair | |
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