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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Gag polyprotein' AND taxid = 79685   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273882
PNG
(2-[3-chloro-3-phenylprop-2-enylidene]hydrazinecarb...)
Show SMILES NC(N)=NN=CC=C(Cl)c1ccccc1
Show InChI InChI=1S/C10H11ClN4/c11-9(6-7-14-15-10(12)13)8-4-2-1-3-5-8/h1-7H,(H4,12,13,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273849
PNG
(1-Chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-car...)
Show SMILES Cc1cc(C)c2CCC(C=NN=C(N)N)=C(Cl)c2c1
Show InChI InChI=1S/C14H17ClN4/c1-8-5-9(2)11-4-3-10(7-18-19-14(16)17)13(15)12(11)6-8/h5-7H,3-4H2,1-2H3,(H4,16,17,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273851
PNG
(2-[(3-chloro-1H-inden-2-yl)methylene]hydrazinecarb...)
Show SMILES NC(N)=NN=CC1=C(Cl)c2ccccc2C1
Show InChI InChI=1S/C11H11ClN4/c12-10-8(6-15-16-11(13)14)5-7-3-1-2-4-9(7)10/h1-4,6H,5H2,(H4,13,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50253469
PNG
(1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde g...)
Show SMILES NC(N)=NN=CC1=C(Cl)c2ccccc2CC1
Show InChI InChI=1S/C12H13ClN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273883
PNG
(CHEMBL460174 | beta-Chloro-alpha-methylcinnamaldeh...)
Show SMILES CC(C=NN=C(N)N)=C(Cl)c1ccccc1
Show InChI InChI=1S/C11H13ClN4/c1-8(7-15-16-11(13)14)10(12)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273850
PNG
(1-Chloro-3-dihydro-4-methylnaphthalene-2-carboxald...)
Show SMILES CC1CC(C=NN=C(N)N)=C(Cl)c2ccccc12
Show InChI InChI=1S/C13H15ClN4/c1-8-6-9(7-17-18-13(15)16)12(14)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3,(H4,15,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273848
PNG
(1-Chloro-6-methoxy-3,4-dihydronaphthalene-2-carbox...)
Show SMILES COc1ccc2C(Cl)=C(CCc2c1)C=NN=C(N)N
Show InChI InChI=1S/C13H15ClN4O/c1-19-10-4-5-11-8(6-10)2-3-9(12(11)14)7-17-18-13(15)16/h4-7H,2-3H2,1H3,(H4,15,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273854
PNG
(1-Methoxy-3,4-dihydronaphthalene-2-carboxaldehyde ...)
Show SMILES COC1=C(CCc2ccccc12)C=NN=C(N)N
Show InChI InChI=1S/C13H16N4O/c1-18-12-10(8-16-17-13(14)15)7-6-9-4-2-3-5-11(9)12/h2-5,8H,6-7H2,1H3,(H4,14,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273852
PNG
(9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxa...)
Show SMILES NC(N)=NN=CC1=C(Cl)c2ccccc2CCC1
Show InChI InChI=1S/C13H15ClN4/c14-12-10(8-17-18-13(15)16)6-3-5-9-4-1-2-7-11(9)12/h1-2,4,7-8H,3,5-6H2,(H4,15,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273880
PNG
(1-Phenoxy-3,4-dihydronaphthalene-2-carboxaldehyde ...)
Show SMILES NC(N)=NN=CC1=C(Oc2ccccc2)c2ccccc2CC1
Show InChI InChI=1S/C18H18N4O/c19-18(20)22-21-12-14-11-10-13-6-4-5-9-16(13)17(14)23-15-7-2-1-3-8-15/h1-9,12H,10-11H2,(H4,19,20,22)
PDB
MMDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
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PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273847
PNG
(1-Chloro-7-methoxy-3,4-dihydronaphthalene-2-carbox...)
Show SMILES COc1ccc2CCC(C=NN=C(N)N)=C(Cl)c2c1
Show InChI InChI=1S/C13H15ClN4O/c1-19-10-5-4-8-2-3-9(7-17-18-13(15)16)12(14)11(8)6-10/h4-7H,2-3H2,1H3,(H4,15,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50240439
PNG
(2-(1-Naphthalenylmethylene) hydrazinecarboximidami...)
Show SMILES NC(N)=NN=Cc1cccc2ccccc12
Show InChI InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50240438
PNG
(2-(2-Naphthalenylmethylene)hydrazinecarboximidamid...)
Show SMILES NC(N)=NN=Cc1ccc2ccccc2c1
Show InChI InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273853
PNG
(1-Bromo-3,4-dihydronaphthalene-2-carboxaldehyde gu...)
Show SMILES NC(N)=NN=CC1=C(Br)c2ccccc2CC1
Show InChI InChI=1S/C12H13BrN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273881
PNG
(1-(1,1,1,-Trifluoromethyl)-3,4-dihydronaphthalene-...)
Show SMILES NC(N)=NN=CC1=C(c2ccccc2CC1)C(F)(F)F
Show InChI InChI=1S/C13H13F3N4/c14-13(15,16)11-9(7-19-20-12(17)18)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,17,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Citation and Details
More data for this
Ligand-Target Pair