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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'tiwari' and Initial = 'ak'   
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
Cholecystokinin receptor


(RAT)
BDBM50208418
PNG
(2-[5-((E)-2-biphenyl-4-yl-vinyl)-2-hydroxy-benzo[4...)
Show SMILES Oc1ccc2c(\C=C\c3ccc(cc3)-c3ccccc3)cc3nc4ccccc4n3c2c1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C38H25N3O3/c42-34-21-20-28-27(19-16-24-14-17-26(18-15-24)25-8-2-1-3-9-25)22-35-39-32-12-6-7-13-33(32)41(35)36(28)31(34)23-40-37(43)29-10-4-5-11-30(29)38(40)44/h1-22,42H,23H2/b19-16+
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n/an/a 197n/an/an/an/an/an/a



Lucknow University

Curated by ChEMBL


Assay Description
Displacement of [125I](BH)CCK8 from rat CCK1 after 30 mins by receptor binding assay


Bioorg Med Chem Lett 17: 2749-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.071
BindingDB Entry DOI: 10.7270/Q2PV6K16
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50208419
PNG
(2-{2-hydroxy-5-[(E)-2-(4-hydroxy-phenyl)-vinyl]-be...)
Show SMILES Oc1ccc(\C=C\c2cc3nc4ccccc4n3c3c(CN4C(=O)c5ccccc5C4=O)c(O)ccc23)cc1
Show InChI InChI=1S/C32H21N3O4/c36-21-13-10-19(11-14-21)9-12-20-17-29-33-26-7-3-4-8-27(26)35(29)30-22(20)15-16-28(37)25(30)18-34-31(38)23-5-1-2-6-24(23)32(34)39/h1-17,36-37H,18H2/b12-9+
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n/an/a 665n/an/an/an/an/an/a



Lucknow University

Curated by ChEMBL


Assay Description
Displacement of [125I](BH)CCK8 from rat CCK1 after 30 mins by receptor binding assay


Bioorg Med Chem Lett 17: 2749-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.071
BindingDB Entry DOI: 10.7270/Q2PV6K16
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50208420
PNG
(2-[2-hydroxy-5-((E)-styryl)-benzo[4,5]imidazo[1,2-...)
Show SMILES Oc1ccc2c(\C=C\c3ccccc3)cc3nc4ccccc4n3c2c1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C32H21N3O3/c36-28-17-16-22-21(15-14-20-8-2-1-3-9-20)18-29-33-26-12-6-7-13-27(26)35(29)30(22)25(28)19-34-31(37)23-10-4-5-11-24(23)32(34)38/h1-18,36H,19H2/b15-14+
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n/an/a 942n/an/an/an/an/an/a



Lucknow University

Curated by ChEMBL


Assay Description
Displacement of [125I](BH)CCK8 from rat CCK1 after 30 mins by receptor binding assay


Bioorg Med Chem Lett 17: 2749-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.071
BindingDB Entry DOI: 10.7270/Q2PV6K16
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50208419
PNG
(2-{2-hydroxy-5-[(E)-2-(4-hydroxy-phenyl)-vinyl]-be...)
Show SMILES Oc1ccc(\C=C\c2cc3nc4ccccc4n3c3c(CN4C(=O)c5ccccc5C4=O)c(O)ccc23)cc1
Show InChI InChI=1S/C32H21N3O4/c36-21-13-10-19(11-14-21)9-12-20-17-29-33-26-7-3-4-8-27(26)35(29)30-22(20)15-16-28(37)25(30)18-34-31(38)23-5-1-2-6-24(23)32(34)39/h1-17,36-37H,18H2/b12-9+
MMDB

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n/an/a 2.94E+3n/an/an/an/an/an/a



Lucknow University

Curated by ChEMBL


Assay Description
Displacement of [125I](BH)CCK8 from Guinea pig CCK1 after 30 mins by receptor binding assay


Bioorg Med Chem Lett 17: 2749-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.071
BindingDB Entry DOI: 10.7270/Q2PV6K16
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50208420
PNG
(2-[2-hydroxy-5-((E)-styryl)-benzo[4,5]imidazo[1,2-...)
Show SMILES Oc1ccc2c(\C=C\c3ccccc3)cc3nc4ccccc4n3c2c1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C32H21N3O3/c36-28-17-16-22-21(15-14-20-8-2-1-3-9-20)18-29-33-26-12-6-7-13-27(26)35(29)30(22)25(28)19-34-31(37)23-10-4-5-11-24(23)32(34)38/h1-18,36H,19H2/b15-14+
MMDB

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n/an/a 4.32E+3n/an/an/an/an/an/a



Lucknow University

Curated by ChEMBL


Assay Description
Displacement of [125I](BH)CCK8 from Guinea pig CCK1 after 30 mins by receptor binding assay


Bioorg Med Chem Lett 17: 2749-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.071
BindingDB Entry DOI: 10.7270/Q2PV6K16
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50242621
PNG
(CHEMBL4070204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50242624
PNG
(CHEMBL4081787)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50242620
PNG
(CHEMBL4097381)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50242624
PNG
(CHEMBL4081787)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50242620
PNG
(CHEMBL4097381)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50242624
PNG
(CHEMBL4081787)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242623
PNG
(CHEMBL4080858)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242624
PNG
(CHEMBL4081787)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50242623
PNG
(CHEMBL4080858)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50242622
PNG
(CHEMBL4065204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50242624
PNG
(CHEMBL4081787)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50242621
PNG
(CHEMBL4070204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50242623
PNG
(CHEMBL4080858)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50242619
PNG
(CHEMBL4105091)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50242618
PNG
(CHEMBL4099804)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50242622
PNG
(CHEMBL4065204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50242621
PNG
(CHEMBL4070204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50242623
PNG
(CHEMBL4080858)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50242619
PNG
(CHEMBL4105091)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50242618
PNG
(CHEMBL4099804)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50242622
PNG
(CHEMBL4065204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PDB
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50242618
PNG
(CHEMBL4099804)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50242619
PNG
(CHEMBL4105091)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50242620
PNG
(CHEMBL4097381)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50242620
PNG
(CHEMBL4097381)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242622
PNG
(CHEMBL4065204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242618
PNG
(CHEMBL4099804)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242619
PNG
(CHEMBL4105091)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242620
PNG
(CHEMBL4097381)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242621
PNG
(CHEMBL4070204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50242622
PNG
(CHEMBL4065204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50242618
PNG
(CHEMBL4099804)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50242619
PNG
(CHEMBL4105091)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50242623
PNG
(CHEMBL4080858)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50242621
PNG
(CHEMBL4070204)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50208418
PNG
(2-[5-((E)-2-biphenyl-4-yl-vinyl)-2-hydroxy-benzo[4...)
Show SMILES Oc1ccc2c(\C=C\c3ccc(cc3)-c3ccccc3)cc3nc4ccccc4n3c2c1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C38H25N3O3/c42-34-21-20-28-27(19-16-24-14-17-26(18-15-24)25-8-2-1-3-9-25)22-35-39-32-12-6-7-13-33(32)41(35)36(28)31(34)23-40-37(43)29-10-4-5-11-30(29)38(40)44/h1-22,42H,23H2/b19-16+
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n/an/a 1.64E+4n/an/an/an/an/an/a



Lucknow University

Curated by ChEMBL


Assay Description
Displacement of [125I](BH)CCK8 from Guinea pig CCK1 after 30 mins by receptor binding assay


Bioorg Med Chem Lett 17: 2749-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.071
BindingDB Entry DOI: 10.7270/Q2PV6K16
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 3.49E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


J Nat Prod 68: 1615-21 (2005)


Article DOI: 10.1021/np058036y
BindingDB Entry DOI: 10.7270/Q2TT4QQZ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 3.49E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Xanthine oxidase


Bioorg Med Chem Lett 13: 2777-80 (2003)


BindingDB Entry DOI: 10.7270/Q2M61KS0
More data for this
Ligand-Target Pair
Sucrase-isomaltase


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 5.20E+4n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of sucrase


Bioorg Med Chem Lett 18: 1659-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.055
BindingDB Entry DOI: 10.7270/Q2DB82Q2
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50250503
PNG
((-)-specioside | CHEMBL516849)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O\C=C\c4ccc(O)cc4)[C@@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8|
Show InChI InChI=1S/C23H28O11/c24-9-14-16(27)17(28)18(29)22(32-14)33-21-15-13(6-8-31-21)19(20-23(15,10-25)34-20)30-7-5-11-1-3-12(26)4-2-11/h1-8,13-22,24-29H,9-10H2/b7-5+/t13-,14-,15-,16-,17+,18-,19+,20+,21+,22+,23+/m1/s1
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n/an/a 7.99E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


J Nat Prod 68: 1615-21 (2005)


Article DOI: 10.1021/np058036y
BindingDB Entry DOI: 10.7270/Q2TT4QQZ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50131452
PNG
(CHEMBL92193 | Hexadecanoic acid (2S,3R)-2-(3,4-dih...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(35)37-27-21-23-17-19-25(33)29(36)31(23)38-30(27)22-16-18-24(32)26(34)20-22/h16-20,27,30,32-34,36H,2-15,21H2,1H3/t27-,30+/m1/s1
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n/an/a 9.47E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Xanthine oxidase


Bioorg Med Chem Lett 13: 2777-80 (2003)


BindingDB Entry DOI: 10.7270/Q2M61KS0
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM233001
PNG
(6-Nitro-2-(4-pyridyl)-1H-benzo[d]imidazole (3e))
Show SMILES [O-][N+](=O)c1ccc2nc([nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C12H8N4O2/c17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8/h1-7H,(H,14,15)
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n/an/a 9.94E+4n/an/an/an/a6.8n/a



Indian Institute of Chemical Technology



Assay Description
Rat intestinal acetone powder in normal saline (100: 1; w/v) was sonicated thoroughly and the supernatant was used as a source of crude intestinal &#...


J Enzyme Inhib Med Chem 25: 80-6 (2010)


Article DOI: 10.3109/14756360903017122
BindingDB Entry DOI: 10.7270/Q27H1HGT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50250506
PNG
((+)-cycloolivil | CHEMBL516536)
Show SMILES COc1cc2C[C@@](O)(CO)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)c2cc1O |r|
Show InChI InChI=1S/C20H24O7/c1-26-17-5-11(3-4-15(17)23)19-13-7-16(24)18(27-2)6-12(13)8-20(25,10-22)14(19)9-21/h3-7,14,19,21-25H,8-10H2,1-2H3/t14-,19+,20-/m1/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


J Nat Prod 68: 1615-21 (2005)


Article DOI: 10.1021/np058036y
BindingDB Entry DOI: 10.7270/Q2TT4QQZ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50131446
PNG
(CHEMBL419512 | Tetradecanoic acid (2S,3R)-2-(3,4-d...)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-26(33)35-25-19-21-15-17-23(31)27(34)29(21)36-28(25)20-14-16-22(30)24(32)18-20/h14-18,25,28,30-32,34H,2-13,19H2,1H3/t25-,28+/m1/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Xanthine oxidase


Bioorg Med Chem Lett 13: 2777-80 (2003)


BindingDB Entry DOI: 10.7270/Q2M61KS0
More data for this
Ligand-Target Pair
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