Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50042620 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 |
|---|
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50222709
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Procathepsin L
(Homo sapiens (Human)) | BDBM50428483
(CHEMBL2335184)Show SMILES Fc1cc(I)ccc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C25H22ClFIN3O4S/c26-18-3-1-2-4-21(18)36(34,35)16-12-20(22(32)30-24(14-29)7-8-24)31(13-16)23(33)25(9-10-25)17-6-5-15(28)11-19(17)27/h1-6,11,16,20H,7-10,12-13H2,(H,30,32)/t16-,20+/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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50428484
(CHEMBL2335183)Show SMILES Fc1cc(Br)ccc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C25H22BrClFN3O4S/c26-15-5-6-17(19(28)11-15)25(9-10-25)23(33)31-13-16(36(34,35)21-4-2-1-3-18(21)27)12-20(31)22(32)30-24(14-29)7-8-24/h1-6,11,16,20H,7-10,12-13H2,(H,30,32)/t16-,20+/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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50428486
(CHEMBL2335181)Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(I)cc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H23ClIN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,18,20H,9-14H2,(H,29,31)/t18-,20+/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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50428481
(CHEMBL2335186)Show InChI InChI=1S/C15H12BrF3N2O3/c16-8-1-4-12(11(18)7-8)20-14-9(2-3-10(17)13(14)19)15(23)21-24-6-5-22/h1-4,7,20,22H,5-6H2,(H,21,23) | 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 | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50428487
(CHEMBL2335180)Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Br)cc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H23BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,18,20H,9-14H2,(H,29,31)/t18-,20+/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50428488
(CHEMBL2335179)Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C25H23Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,18,20H,9-14H2,(H,29,31)/t18-,20+/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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50428482
(CHEMBL2335185)Show InChI InChI=1S/C15H12ClF3N2O3/c16-8-1-4-12(11(18)7-8)20-14-9(2-3-10(17)13(14)19)15(23)21-24-6-5-22/h1-4,7,20,22H,5-6H2,(H,21,23) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50428485
(CHEMBL2335182)Show SMILES Fc1cc(Cl)ccc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C25H22Cl2FN3O4S/c26-15-5-6-17(19(28)11-15)25(9-10-25)23(33)31-13-16(36(34,35)21-4-2-1-3-18(21)27)12-20(31)22(32)30-24(14-29)7-8-24/h1-6,11,16,20H,7-10,12-13H2,(H,30,32)/t16-,20+/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
J Med Chem 56: 1363-88 (2013)
Article DOI: 10.1021/jm3012068
BindingDB Entry DOI: 10.7270/Q2GT5PH4 |
More data for this
Ligand-Target Pair | |
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