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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histidine-tagged Rb' AND taxid = 9606   
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
Histidine-tagged Rb


(Homo sapiens (human))
BDBM50267481
PNG
(6-tert-Butyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-yl...)
Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O
Show InChI InChI=1S/C23H27N3O4/c1-5-8-30-20-13-25-15(10-19(20)27)11-24-12-18-17-9-14(23(2,3)4)6-7-16(17)21(28)26-22(18)29/h6-7,9-10,12-13,24H,5,8,11H2,1-4H3,(H,25,27)(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Histidine-tagged Rb


(Homo sapiens (human))
BDBM50267581
PNG
((4Z)-4-[({[1-(3-Furyl)-2-oxo-1,2-dihydropyridin-4-...)
Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccoc4)c(=O)c3)c2c1
Show InChI InChI=1S/C20H14IN3O4/c21-13-1-2-15-16(8-13)17(20(27)23-19(15)26)10-22-9-12-3-5-24(18(25)7-12)14-4-6-28-11-14/h1-8,10-11,22H,9H2,(H,23,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Histidine-tagged Rb


(Homo sapiens (human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair