Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50040072 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 |
|---|
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50381716
(ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...)Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34) | PDB
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PC cid
PC sid
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Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRA |
ACS Med Chem Lett 3: 383-386 (2012)
Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50388873
(CHEMBL1964441)Show SMILES CNCC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C25H23N5OS/c1-16-5-3-7-20(13-16)30-25(31)29-19-10-8-17(9-11-19)21-15-32-23-18(6-4-12-27-2)14-28-24(26)22(21)23/h3,5,7-11,13-15,27H,12H2,1-2H3,(H2,26,28)(H2,29,30,31) | PDB
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRA |
ACS Med Chem Lett 3: 383-386 (2012)
Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50381703
(CHEMBL1970317)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 Show InChI InChI=1S/C24H19FN6OS/c1-31-12-15(10-28-31)19-11-27-23(26)21-20(13-33-22(19)21)14-5-7-17(8-6-14)29-24(32)30-18-4-2-3-16(25)9-18/h2-13H,1H3,(H2,26,27)(H2,29,30,32) | PDB
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRA |
ACS Med Chem Lett 3: 383-386 (2012)
Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50388874
(CHEMBL1967720)Show SMILES CC(C)(C(N)=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 Show InChI InChI=1S/C27H24FN7O2S/c1-27(2,25(30)36)35-13-16(11-32-35)20-12-31-24(29)22-21(14-38-23(20)22)15-6-8-18(9-7-15)33-26(37)34-19-5-3-4-17(28)10-19/h3-14H,1-2H3,(H2,29,31)(H2,30,36)(H2,33,34,37) | PDB
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PC cid
PC sid
UniChem
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PubMed
| <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRA |
ACS Med Chem Lett 3: 383-386 (2012)
Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50381719
(CHEMBL2022856)Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r| Show InChI InChI=1S/C26H23FN6O2S/c1-15(34)12-33-13-17(10-30-33)21-11-29-25(28)23-22(14-36-24(21)23)16-5-7-19(8-6-16)31-26(35)32-20-4-2-3-18(27)9-20/h2-11,13-15,34H,12H2,1H3,(H2,28,29)(H2,31,32,35)/t15-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRA |
ACS Med Chem Lett 3: 383-386 (2012)
Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50388880
(CHEMBL1979577)Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)C#CC(C)(C)N)c1 Show InChI InChI=1S/C26H25N5OS/c1-16-5-4-6-20(13-16)31-25(32)30-19-9-7-17(8-10-19)21-15-33-23-18(11-12-26(2,3)28)14-29-24(27)22(21)23/h4-10,13-15H,28H2,1-3H3,(H2,27,29)(H2,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRA |
ACS Med Chem Lett 3: 383-386 (2012)
Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH |
More data for this
Ligand-Target Pair | |
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