Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50018676 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)) | BDBM50198038
(CHEMBL227824 | [(R)-1-(4'-ethoxy-biphenyl-4-sulfon...)Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C18H24NO6PS/c1-4-25-16-9-5-14(6-10-16)15-7-11-17(12-8-15)27(23,24)19-18(13(2)3)26(20,21)22/h5-13,18-19H,4H2,1-3H3,(H2,20,21,22)/t18-/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM12072
((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O |r| Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1 | PDB
MMDB
NCI pathway
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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198033
(CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198031
(CHEMBL227598 | [(R)-1-(4'-isopropoxy-biphenyl-4-su...)Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C19H26NO6PS/c1-13(2)19(27(21,22)23)20-28(24,25)18-11-7-16(8-12-18)15-5-9-17(10-6-15)26-14(3)4/h5-14,19-20H,1-4H3,(H2,21,22,23)/t19-/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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198034
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198039
(CHEMBL374377 | [(R)-1-(4'-fluoro-biphenyl-4-sulfon...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19FNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198035
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198030
(CHEMBL228188 | [(R)-1-(3'-chloro-biphenyl-4-sulfon...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-8-6-12(7-9-15)13-4-3-5-14(17)10-13/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50084301
((S)-2-(4'-fluoro-biphenyl-4-sulfonylamino)-3-methy...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C17H18FNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50084293
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198037
(CHEMBL228187 | [(R)-1-(3'-fluoro-biphenyl-4-sulfon...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)P(O)(O)=O Show InChI InChI=1S/C16H19FNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-8-6-12(7-9-15)13-4-3-5-14(17)10-13/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198036
(((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulf...)Show SMILES COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H26NO6PS/c1-14(2)19(27(21,22)23)20-28(24,25)18-12-8-16(9-13-18)5-4-15-6-10-17(26-3)11-7-15/h6-14,19-20H,4-5H2,1-3H3,(H2,21,22,23)/t19-/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 | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50198032
(CHEMBL227553 | [(R)-2-methyl-1-(4-phenethyl-benzen...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(CCc2ccccc2)cc1)P(O)(O)=O Show InChI InChI=1S/C18H24NO5PS/c1-14(2)18(25(20,21)22)19-26(23,24)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-7,10-14,18-19H,8-9H2,1-2H3,(H2,20,21,22)/t18-/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 | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this
Ligand-Target Pair | |
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