Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50019118 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 |
|---|
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50615459
(CHEMBL5281562)Show SMILES CCn1c(=O)\c(=C\Nc2cccc(CCN3CCCC3)c2)s\c1=C(/C#N)C(=O)NC(F)(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50615460
(CHEMBL5271428)Show SMILES COc1ccc(\C=C2/SC(NCCCN3CCN(CCCNC4=NC(=O)\C(S4)=C\c4ccc(OC)cc4)CC3)=NC2=O)cc1 |c:41,t:22| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Homeobox-leucine zipper protein PROTODERMAL FACTOR 2
(Arabidopsis thaliana) | BDBM50615456
(CHEMBL5281600)Show SMILES OC(=O)CCCCCN1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Homeobox-leucine zipper protein PROTODERMAL FACTOR 2
(Arabidopsis thaliana) | BDBM50476209
(CHEMBL374332)Show SMILES Cc1cc(\C=C2/SC(=S)N(CCCCCC(O)=O)C2=O)c(C)n1-c1ccccc1 Show InChI InChI=1S/C22H24N2O3S2/c1-15-13-17(16(2)24(15)18-9-5-3-6-10-18)14-19-21(27)23(22(28)29-19)12-8-4-7-11-20(25)26/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H,25,26)/b19-14- | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| | n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50075510
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3| Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50615461
(CHEMBL376044)Show SMILES Cc1ccc(\C=C2/SC(NS(=O)(=O)c3ccc(C)cc3)=NC2=O)o1 |c:20| | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50615462
(CHEMBL5280080)Show SMILES CCc1ccc(\C=C2\SC(NC(C(O)=O)c3ccc(F)cc3)=NC2=O)o1 |c:22| | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50615457
(CHEMBL211933) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM8436
(2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanyl...)Show InChI InChI=1S/C10H7NO4S2/c12-8(13)5-11-9(14)7(17-10(11)16)4-6-2-1-3-15-6/h1-4H,5H2,(H,12,13)/b7-4- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50615463
(CHEMBL5279984)Show SMILES CCc1ccc(\C=C2/SC(NC(C(O)=O)c3ccc(F)cc3)=NC2=O)o1 |c:22| | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 1.98E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50615464
(CHEMBL240020)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\C=C\c1ccccn1 |t:12| | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.98E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50615465
(CHEMBL5272023)Show SMILES Brc1ccc(\C=C2/SC(=S)N(CS(=O)(=O)c3ccccc3)C2=O)cc1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.98E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50334180
(2-(4-oxo-5-(3-phenoxybenzylidene)-2-thioxothiazoli...)Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O Show InChI InChI=1S/C18H13NO4S2/c20-16(21)11-19-17(22)15(25-18(19)24)10-12-5-4-8-14(9-12)23-13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)/b15-10- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.98E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50099161
(CHEMBL177185 | N-[5-(2-{1-[4-(2,4-Dioxo-thiazolidi...)Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC1CCN(CC1)c1ccc(C=C2SC(O)=NC2=O)cc1 |w:26.27,c:32| Show InChI InChI=1S/C24H28N4O6S2/c1-36(33,34)27-19-13-16(4-7-20(19)29)21(30)14-25-17-8-10-28(11-9-17)18-5-2-15(3-6-18)12-22-23(31)26-24(32)35-22/h2-7,12-13,17,21,25,27,29-30H,8-11,14H2,1H3,(H,26,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50615458
(CHEMBL5286820)Show SMILES CN(C)c1ccc(\C=C\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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