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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'alizadeh' and Initial = 'sr'   
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
Corticoliberin


(Homo sapiens)
BDBM50610720
PNG
(CHEMBL5286255)
Show SMILES CCCC(CCC)c1c(CC)nn2c(nc(C)nc12)-c1cc(OC)c(OC)cc1Cl
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0.700n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610716
PNG
(CHEMBL5279390)
Show SMILES CCCC(CCC)c1c(CC)nn2c(nc(C)nc12)-c1ccc(Cl)cc1Cl
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1n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610717
PNG
(CHEMBL5279909)
Show SMILES CCCC(COC)c1c(CC)nn2c(nc(C)nc12)-c1ccc(Cl)cc1Cl
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1.40n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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1.70n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610718
PNG
(CHEMBL5290774)
Show SMILES CCCC(COC)c1c(CC)nn2c(nc(C)nc12)-c1cc(OC)c(OC)cc1Cl
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2n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610719
PNG
(CHEMBL5291384)
Show SMILES CCCC(C)c1c(CC)nn2c(nc(C)nc12)-c1cc(OC)c(OC)cc1Cl
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2.60n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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9.34E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50594815
PNG
(CHEMBL5203983)
Show SMILES CCCCc1nc(Cl)c(COC(=O)CCC(=O)Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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n/an/a 140n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50594814
PNG
(CHEMBL5192190)
Show SMILES CCCCc1nc(Cl)c(COC(=O)CCC(=O)Oc2cc(ccc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50443288
PNG
(CHEMBL5273636)
Show SMILES O=C(O[C@H]1C[N+]2(Cc3cc(no3)-c3ccccc3)CCC1CC2)C1(CCCCCC1)C1=CC=CC1 |r,wD:3.2,c:37,t:35,(26.47,-22.94,;26.65,-21.41,;28.06,-20.8,;29.51,-21.31,;29.8,-22.81,;31.28,-23.28,;31.39,-24.81,;32.77,-25.49,;34.14,-24.77,;35.25,-25.84,;34.56,-27.22,;33.04,-27.01,;36.77,-25.58,;37.74,-26.77,;39.26,-26.51,;39.8,-25.06,;38.8,-23.87,;37.29,-24.14,;32.42,-22.31,;32.14,-20.8,;30.68,-20.31,;29.94,-21.66,;31.44,-22,;25.4,-20.48,;23.98,-19.87,;23.56,-18.39,;24.46,-17.14,;25.99,-17.07,;27.01,-18.22,;26.75,-19.74,;24.39,-21.65,;22.86,-21.51,;22.24,-22.93,;23.41,-23.95,;24.74,-23.16,)|
Show InChI InChI=1S/C30H37N2O3/c33-29(30(25-12-6-7-13-25)16-8-1-2-9-17-30)34-28-22-32(18-14-24(28)15-19-32)21-26-20-27(31-35-26)23-10-4-3-5-11-23/h3-7,10-12,20,24,28H,1-2,8-9,13-19,21-22H2/q+1/t24?,28-,32?/m0/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50443287
PNG
(CHEMBL5275667)
Show SMILES O=C(O[C@H]1C[N+]2(Cc3cc(on3)-c3ccccc3)CCC1CC2)C1(CCCCCC1)C1=CC=CC1 |r,wD:3.2,c:37,t:35,(24.5,-41.5,;24.68,-39.97,;26.09,-39.37,;27.54,-39.87,;27.83,-41.37,;29.31,-41.83,;29.42,-43.36,;30.8,-44.05,;31.06,-45.55,;32.58,-45.77,;33.26,-44.39,;32.16,-43.31,;33.31,-47.13,;32.48,-48.43,;33.19,-49.79,;34.73,-49.85,;35.55,-48.53,;34.83,-47.18,;30.45,-40.87,;30.16,-39.36,;28.71,-38.87,;27.97,-40.21,;29.47,-40.56,;23.44,-39.05,;22.02,-38.44,;21.6,-36.96,;22.49,-35.7,;24.02,-35.64,;25.05,-36.79,;24.79,-38.31,;22.42,-40.2,;20.89,-40.07,;20.29,-41.49,;21.45,-42.51,;22.78,-41.72,)|
Show InChI InChI=1S/C30H37N2O3/c33-29(30(25-12-6-7-13-25)16-8-1-2-9-17-30)34-28-22-32(18-14-24(28)15-19-32)21-26-20-27(35-31-26)23-10-4-3-5-11-23/h3-7,10-12,20,24,28H,1-2,8-9,13-19,21-22H2/q+1/t24?,28-,32?/m0/s1
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n/an/a 2.09E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))
BDBM50610723
PNG
(CHEMBL5285133)
Show SMILES Cc1ccc(Nc2nc(N)nc3cc(nn23)-c2ccccc2)cc1
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n/an/a 7.60E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.12E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50610721
PNG
(CHEMBL5271736)
Show SMILES Nc1nc(Nc2ccc(F)cc2)n2nc(cc2n1)-c1ccccc1
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n/an/a 1.84E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50610715
PNG
(CHEMBL5283462)
Show SMILES CCSc1nc(-c2ccc(C)cc2)n2nc(C)cc2n1
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n/an/a 2.45E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50610709
PNG
(CHEMBL5274281)
Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N[C@@H](CO)CC(C)C |r|
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n/an/a 2.79E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50610708
PNG
(CHEMBL5282145)
Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N[C@H](C)CO |r|
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n/an/a 3.08E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50610707
PNG
(CHEMBL5279874)
Show SMILES CSC1=NNC2NN=C(C)C2=N1 |c:11,t:2,7|
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n/an/a 4.00E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50610711
PNG
(CHEMBL5285907)
Show SMILES CCOC(=O)c1cnn2c1[nH]nc(C(=O)NC(C)(C)C)c2=O
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n/an/a 4.81E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))
BDBM50610721
PNG
(CHEMBL5271736)
Show SMILES Nc1nc(Nc2ccc(F)cc2)n2nc(cc2n1)-c1ccccc1
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n/an/a 5.12E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))
BDBM50610722
PNG
(CHEMBL5271974)
Show SMILES CN(C)CCCNc1nc(N)nc2cc(nn12)-c1ccccc1
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n/an/a 5.22E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50610710
PNG
(CHEMBL5280972)
Show SMILES CCOC(=O)c1cnn2c1[nH]nc(C(=O)OCC)c2=O
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n/an/a 5.40E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50610712
PNG
(CHEMBL5284943)
Show SMILES [O-][N+](=O)c1n[nH]c2c(cnn2c1=O)C#N
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n/an/a 6.11E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50610713
PNG
(CHEMBL5273757)
Show SMILES N\C(=N/O)c1cnn2c1[nH]nc([N+]([O-])=O)c2=O
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n/an/a 6.36E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50610714
PNG
(CHEMBL5285955)
Show SMILES CCOC(=O)c1cnn2c1[nH]nc([N+]([O-])=O)c2=O
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n/an/a 6.20E+5n/an/an/an/an/an/a


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Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50262559
PNG
(2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-(piperi...)
Show SMILES Oc1ccc(cc1O)-c1oc2c(CN3CCCCC3)c(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C21H21NO7/c23-13-5-4-11(8-15(13)25)20-19(28)18(27)17-16(26)9-14(24)12(21(17)29-20)10-22-6-2-1-3-7-22/h4-5,8-9,23-26,28H,1-3,6-7,10H2
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n/an/an/a>2.00E+6n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50594816
PNG
(CHEMBL5205613)
Show SMILES Cl.Oc1ccc(cc1O)-c1oc2c(CN3CCCC3)c(O)cc(O)c2c(=O)c1O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair