Found 6 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 |
|---|
Stromelysin-1
(Homo sapiens (Human)) | BDBM50142072
(CHEMBL3759602)Show SMILES CCCCCCCCCC(=O)[C@@]12O[C@@]11C3=COC(C[C@H](C)O)=CC3=CC(=O)[C@]1(C)OC2=O |r,c:22,25,t:15| Show InChI InChI=1S/C25H32O7/c1-4-5-6-7-8-9-10-11-20(27)24-22(29)31-23(3)21(28)14-17-13-18(12-16(2)26)30-15-19(17)25(23,24)32-24/h13-16,26H,4-12H2,1-3H3/t16-,23-,24-,25+/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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (unknown origin) |
J Nat Prod 78: 2917-23 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00519
BindingDB Entry DOI: 10.7270/Q28054GX |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50142072
(CHEMBL3759602)Show SMILES CCCCCCCCCC(=O)[C@@]12O[C@@]11C3=COC(C[C@H](C)O)=CC3=CC(=O)[C@]1(C)OC2=O |r,c:22,25,t:15| Show InChI InChI=1S/C25H32O7/c1-4-5-6-7-8-9-10-11-20(27)24-22(29)31-23(3)21(28)14-17-13-18(12-16(2)26)30-15-19(17)25(23,24)32-24/h13-16,26H,4-12H2,1-3H3/t16-,23-,24-,25+/m0/s1 | 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 | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of caspase-1 (unknown origin) |
J Nat Prod 78: 2917-23 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00519
BindingDB Entry DOI: 10.7270/Q28054GX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50142071
(CHEMBL3758580)Show SMILES CCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O |r,c:11,25,t:13,15| Show InChI InChI=1S/C27H37NO6/c1-4-5-6-7-8-9-10-11-23(31)24-22-16-19-15-20(14-18(2)30)28(12-13-29)17-21(19)25(32)27(22,3)34-26(24)33/h15-18,29-30H,4-14H2,1-3H3/t18-,27+/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 | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (unknown origin) |
J Nat Prod 78: 2917-23 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00519
BindingDB Entry DOI: 10.7270/Q28054GX |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50142071
(CHEMBL3758580)Show SMILES CCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O |r,c:11,25,t:13,15| Show InChI InChI=1S/C27H37NO6/c1-4-5-6-7-8-9-10-11-23(31)24-22-16-19-15-20(14-18(2)30)28(12-13-29)17-21(19)25(32)27(22,3)34-26(24)33/h15-18,29-30H,4-14H2,1-3H3/t18-,27+/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 | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of caspase-1 (unknown origin) |
J Nat Prod 78: 2917-23 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00519
BindingDB Entry DOI: 10.7270/Q28054GX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50142040
(CHEMBL3759333)Show SMILES [H][C@]12[C@H](C(=O)CCCCCCCCC)C(=O)O[C@@]1(C)C(=O)C=C1C=C(C[C@H](C)O)OC=C21 |r,t:22,24,31| Show InChI InChI=1S/C25H34O6/c1-4-5-6-7-8-9-10-11-20(27)22-23-19-15-30-18(12-16(2)26)13-17(19)14-21(28)25(23,3)31-24(22)29/h13-16,22-23,26H,4-12H2,1-3H3/t16-,22-,23-,25-/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 | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (unknown origin) |
J Nat Prod 78: 2917-23 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00519
BindingDB Entry DOI: 10.7270/Q28054GX |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50142040
(CHEMBL3759333)Show SMILES [H][C@]12[C@H](C(=O)CCCCCCCCC)C(=O)O[C@@]1(C)C(=O)C=C1C=C(C[C@H](C)O)OC=C21 |r,t:22,24,31| Show InChI InChI=1S/C25H34O6/c1-4-5-6-7-8-9-10-11-20(27)22-23-19-15-30-18(12-16(2)26)13-17(19)14-21(28)25(23,3)31-24(22)29/h13-16,22-23,26H,4-12H2,1-3H3/t16-,22-,23-,25-/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 | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of caspase-1 (unknown origin) |
J Nat Prod 78: 2917-23 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00519
BindingDB Entry DOI: 10.7270/Q28054GX |
More data for this
Ligand-Target Pair | |
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