Found 12 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 |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50204004
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,23-/m0/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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP13 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50204004
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,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 | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP2 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50204004
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP8 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50204004
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,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 | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP3 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50204003
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,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 | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP8 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204003
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,23-/m0/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 | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP13 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50204003
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,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 | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP2 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50037064
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/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 | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP3 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50204003
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,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 | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP3 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50037064
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/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 | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP8 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50037064
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/m0/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 | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP13 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50037064
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/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 | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of human MMP2 |
Bioorg Med Chem 15: 2368-74 (2007)
Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2 |
More data for this
Ligand-Target Pair | |
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