Found 38 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)) | BDBM50243056
(CHEMBL4085232)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)-c3cn[nH]c3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H18N6O5/c1-33-14-3-2-12-10-29(20(30)15(12)6-14)11-23(21(31)27-22(32)28-23)18-7-16-17(34-18)4-5-24-19(16)13-8-25-26-9-13/h2-9H,10-11H2,1H3,(H,25,26)(H2,27,28,31,32)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243045
(CHEMBL4095412)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(O)nccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O6/c1-29-11-3-2-10-8-24(17(26)12(10)6-11)9-20(18(27)22-19(28)23-20)15-7-13-14(30-15)4-5-21-16(13)25/h2-7H,8-9H2,1H3,(H,21,25)(H2,22,23,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243039
(CHEMBL4089108)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4ccccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C21H17N3O5/c1-28-14-7-6-13-10-24(18(25)15(13)9-14)11-21(19(26)22-20(27)23-21)17-8-12-4-2-3-5-16(12)29-17/h2-9H,10-11H2,1H3,(H2,22,23,26,27)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243087
(CHEMBL4065885)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cncc(N)c4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H17N5O5/c1-29-12-3-2-10-8-25(17(26)13(10)5-12)9-20(18(27)23-19(28)24-20)15-4-11-6-22-7-14(21)16(11)30-15/h2-7H,8-9,21H2,1H3,(H2,23,24,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243134
(CHEMBL4079423)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)-n3cccn3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H18N6O5/c1-33-14-4-3-13-11-28(20(30)15(13)9-14)12-23(21(31)26-22(32)27-23)18-10-16-17(34-18)5-6-19(25-16)29-8-2-7-24-29/h2-10H,11-12H2,1H3,(H2,26,27,31,32)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243057
(CHEMBL4104084)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)C(F)(F)F)C(=O)c2c1 |r| Show InChI InChI=1S/C21H15F3N4O5/c1-32-11-3-2-10-8-28(17(29)12(10)6-11)9-20(18(30)26-19(31)27-20)15-7-13-14(33-15)4-5-25-16(13)21(22,23)24/h2-7H,8-9H2,1H3,(H2,26,27,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243092
(CHEMBL4088194)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N(C3CCNCC3)c3cn[nH]c3)C(=O)c2c1 |r| Show InChI InChI=1S/C28H28N8O5/c1-40-19-3-2-16-14-35(25(37)20(16)10-19)15-28(26(38)33-27(39)34-28)23-11-21-22(41-23)4-5-24(32-21)36(18-12-30-31-13-18)17-6-8-29-9-7-17/h2-5,10-13,17,29H,6-9,14-15H2,1H3,(H,30,31)(H2,33,34,38,39)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243097
(CHEMBL4060386)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnc(C)cc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C21H18N4O5/c1-11-5-16-13(8-22-11)6-17(30-16)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)7-15(12)18(25)26/h3-8H,9-10H2,1-2H3,(H2,23,24,27,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243094
(CHEMBL4090901)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(N5CC(=O)NC5=O)c(F)cc4o3)C(=O)c2c1F |r| Show InChI InChI=1S/C23H16F2N6O7/c1-37-12-3-2-9-6-30(19(33)16(9)17(12)25)8-23(20(34)28-21(35)29-23)14-5-11-13(38-14)4-10(24)18(26-11)31-7-15(32)27-22(31)36/h2-5H,6-8H2,1H3,(H,27,32,36)(H2,28,29,34,35)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243084
(CHEMBL4074516)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnc(C)cc4o3)C(=O)c2c1F |r| Show InChI InChI=1S/C21H17FN4O5/c1-10-5-14-12(7-23-10)6-15(31-14)21(19(28)24-20(29)25-21)9-26-8-11-3-4-13(30-2)17(22)16(11)18(26)27/h3-7H,8-9H2,1-2H3,(H2,24,25,28,29)/t21-/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
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243059
(CHEMBL4066370)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnc(cc4o3)C(F)(F)F)C(=O)c2c1 |r| Show InChI InChI=1S/C21H15F3N4O5/c1-32-12-3-2-10-8-28(17(29)13(10)5-12)9-20(18(30)26-19(31)27-20)16-4-11-7-25-15(21(22,23)24)6-14(11)33-16/h2-7H,8-9H2,1H3,(H2,26,27,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243040
(CHEMBL4065068)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4ncccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-12-5-4-11-9-24(17(25)13(11)7-12)10-20(18(26)22-19(27)23-20)16-8-14-15(29-16)3-2-6-21-14/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243090
(CHEMBL4103683)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)-c3cn[nH]c3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H18N6O5/c1-33-14-3-2-12-10-29(20(30)15(12)6-14)11-23(21(31)27-22(32)28-23)19-7-17-18(34-19)5-4-16(26-17)13-8-24-25-9-13/h2-9H,10-11H2,1H3,(H,24,25)(H2,27,28,31,32)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243095
(CHEMBL4074978)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(C)nc(C)cc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C22H20N4O5/c1-11-6-17-15(12(2)23-11)8-18(31-17)22(20(28)24-21(29)25-22)10-26-9-13-4-5-14(30-3)7-16(13)19(26)27/h4-8H,9-10H2,1-3H3,(H2,24,25,28,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243060
(CHEMBL4088622)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cncc(C)c4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C21H18N4O5/c1-11-7-22-8-13-5-16(30-17(11)13)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)6-15(12)18(25)26/h3-8H,9-10H2,1-2H3,(H2,23,24,27,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243088
(CHEMBL4087303)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(N)ccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H17N5O5/c1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-16(21)22-13/h2-7H,8-9H2,1H3,(H2,21,22)(H2,23,24,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243091
(CHEMBL4095929)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N3CCNC(=O)C3)C(=O)c2c1F |r| Show InChI InChI=1S/C24H21FN6O6/c1-36-15-3-2-12-9-31(21(33)19(12)20(15)25)11-24(22(34)28-23(35)29-24)16-8-13-14(37-16)4-5-17(27-13)30-7-6-26-18(32)10-30/h2-5,8H,6-7,9-11H2,1H3,(H,26,32)(H2,28,29,34,35)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243137
(CHEMBL4066120)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cccnc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-5-4-12-9-24(17(25)14(12)8-13)10-20(18(26)22-19(27)23-20)15-7-11-3-2-6-21-16(11)29-15/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243096
(CHEMBL4079834)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)C#N)C(=O)c2c1 |r| Show InChI InChI=1S/C21H15N5O5/c1-30-12-3-2-11-9-26(18(27)13(11)6-12)10-21(19(28)24-20(29)25-21)17-7-14-15(8-22)23-5-4-16(14)31-17/h2-7H,9-10H2,1H3,(H2,24,25,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243136
(CHEMBL4083116)Show SMILES CNC(=O)c1cnc2cc(oc2c1)[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H19N5O6/c1-23-18(28)12-5-16-15(24-8-12)7-17(33-16)22(20(30)25-21(31)26-22)10-27-9-11-3-4-13(32-2)6-14(11)19(27)29/h3-8H,9-10H2,1-2H3,(H,23,28)(H2,25,26,30,31)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243093
(CHEMBL4059950)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N(C3CCN(C)CC3)c3cn[nH]c3)C(=O)c2c1 |r| Show InChI InChI=1S/C29H30N8O5/c1-35-9-7-18(8-10-35)37(19-13-30-31-14-19)25-6-5-23-22(32-25)12-24(42-23)29(27(39)33-28(40)34-29)16-36-15-17-3-4-20(41-2)11-21(17)26(36)38/h3-6,11-14,18H,7-10,15-16H2,1-2H3,(H,30,31)(H2,33,34,39,40)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243044
(CHEMBL4091791)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cn4ccsc4n3)C(=O)c2c1 |r| Show InChI InChI=1S/C18H15N5O4S/c1-27-11-3-2-10-7-23(14(24)12(10)6-11)9-18(15(25)20-16(26)21-18)13-8-22-4-5-28-17(22)19-13/h2-6,8H,7,9H2,1H3,(H2,20,21,25,26)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243043
(CHEMBL4070925)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cn4ccccc4n3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H17N5O4/c1-29-13-6-5-12-9-25(17(26)14(12)8-13)11-20(18(27)22-19(28)23-20)15-10-24-7-3-2-4-16(24)21-15/h2-8,10H,9,11H2,1H3,(H2,22,23,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243041
(CHEMBL4080243)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cncnc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C19H15N5O5/c1-28-12-3-2-10-7-24(16(25)13(10)5-12)8-19(17(26)22-18(27)23-19)14-4-11-6-20-9-21-15(11)29-14/h2-6,9H,7-8H2,1H3,(H2,22,23,26,27)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243058
(CHEMBL4087714)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnc(cc4o3)N3CCNC3=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H20N6O6/c1-34-14-3-2-12-10-28(19(30)15(12)7-14)11-23(20(31)26-21(32)27-23)17-6-13-9-25-18(8-16(13)35-17)29-5-4-24-22(29)33/h2-3,6-9H,4-5,10-11H2,1H3,(H,24,33)(H2,26,27,31,32)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243142
(CHEMBL4095196)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cn4cccnc4n3)C(=O)c2c1 |r| Show InChI InChI=1S/C19H16N6O4/c1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243104
(CHEMBL4094984)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cncc(F)c4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H15FN4O5/c1-29-12-3-2-10-8-25(17(26)13(10)5-12)9-20(18(27)23-19(28)24-20)15-4-11-6-22-7-14(21)16(11)30-15/h2-7H,8-9H2,1H3,(H2,23,24,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243055
(CHEMBL4103164)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)N3CCNCC3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H24N6O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-26-20(17)29-8-6-25-7-9-29/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50243042
(CHEMBL4074727)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4ncccc4[nH]3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H17N5O4/c1-29-12-5-4-11-9-25(17(26)13(11)7-12)10-20(18(27)23-19(28)24-20)16-8-15-14(22-16)3-2-6-21-15/h2-8,22H,9-10H2,1H3,(H2,23,24,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 10
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine ... |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 (unknown origin) |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/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 | 533 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/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 | 684 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 (unknown origin) |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/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 | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 (unknown origin) |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/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 | 4.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 (unknown origin) |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/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 | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP3 (unknown origin) |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50243038
(CHEMBL4092752)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP7 (unknown origin) |
Bioorg Med Chem Lett 27: 3037-3042 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G |
More data for this
Ligand-Target Pair | |
Search and Browse
