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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'zhou' and Initial = 'wc'   
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50065454
PNG
(CHEBI:63453 | CHEMBL3348846)
Show SMILES COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1
Show InChI InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+
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Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 2.10n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate at after 1 hr by ELISA


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 2.40n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of Ret (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 3.40n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267625
PNG
(CHEMBL4077172)
Show SMILES O\C=c1/c2ccccc2[nH]/c/1=C1\C(=O)Cc2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrNO2/c19-11-5-6-12-10(7-11)8-16(22)17(12)18-14(9-21)13-3-1-2-4-15(13)20-18/h1-7,9,20-21H,8H2/b14-9+,18-17-
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n/an/a 5n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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Article
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n/an/a 11n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267626
PNG
(AZ-11548415 | AZD-1080)
Show SMILES Oc1[nH]c2ccc(cc2c1-c1ccc(CN2CCOCC2)cn1)C#N
Show InChI InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
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n/an/a 31n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair