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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50012146   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50115301
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 50n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor alpha


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50115302
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC
Show InChI InChI=1S/C24H29N5O3/c1-16(2)17-5-7-18(8-6-17)27-24(30)29-11-9-28(10-12-29)23-19-13-21(31-3)22(32-4)14-20(19)25-15-26-23/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor alpha


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50115298
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2cc1OC
Show InChI InChI=1S/C21H22BrN5O3/c1-29-18-11-16-17(12-19(18)30-2)23-13-24-20(16)26-7-9-27(10-8-26)21(28)25-15-5-3-14(22)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,25,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 710n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor alpha


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50115297
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c2cc1OC
Show InChI InChI=1S/C22H22N6O3/c1-30-19-11-17-18(12-20(19)31-2)24-14-25-21(17)27-7-9-28(10-8-27)22(29)26-16-5-3-15(13-23)4-6-16/h3-6,11-12,14H,7-10H2,1-2H3,(H,26,29)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 770n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor alpha


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50115295
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C21H22N6O5/c1-31-18-11-16-17(12-19(18)32-2)22-13-23-20(16)25-7-9-26(10-8-25)21(28)24-14-3-5-15(6-4-14)27(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,24,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 890n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor alpha


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair