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Compile Data Set for Download or QSAR

Found 364 hits with Last Name = 'liang' and Initial = 'f'   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0|
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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0.0200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100715
PNG
(2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES Brc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0230n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
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0.0260n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100707
PNG
((R)-2-(6-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...)
Show SMILES Fc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0270n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0|
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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0.0310n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
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0.0450n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
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0.0580n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0700n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100706
PNG
(2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...)
Show SMILES CN1CCCC1c1ccc(Br)nc1
Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3
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0.450n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.480n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50078056
PNG
(2-Chloro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...)
Show SMILES CN1CCCC1c1ccc(Cl)nc1
Show InChI InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3
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0.630n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.01n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100709
PNG
(2-Fluoro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...)
Show SMILES CN1CCCC1c1ccc(F)nc1
Show InChI InChI=1S/C10H13FN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3
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1.03n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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1.26n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100713
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ylamin...)
Show SMILES Nc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)
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1.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100708
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridine-2-sulfo...)
Show SMILES FC(F)(F)OS(=O)(=O)c1ccc(cn1)C1CC2CCC1N2 |THB:11:14:20:18.17|
Show InChI InChI=1S/C12H13F3N2O3S/c13-12(14,15)20-21(18,19)11-4-1-7(6-16-11)9-5-8-2-3-10(9)17-8/h1,4,6,8-10,17H,2-3,5H2
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8.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100711
PNG
(CHEMBL56677 | [5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-p...)
Show SMILES CN(C)c1ccc(cn1)C1CC2CCC1N2 |THB:6:9:15:13.12|
Show InChI InChI=1S/C13H19N3/c1-16(2)13-6-3-9(8-14-13)11-7-10-4-5-12(11)15-10/h3,6,8,10-12,15H,4-5,7H2,1-2H3
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26.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100716
PNG
(5-(1-Methyl-pyrrolidin-2-yl)-pyridin-2-ylamine | C...)
Show SMILES CN1CCCC1c1ccc(N)nc1
Show InChI InChI=1S/C10H15N3/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12)
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81n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100714
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ol | C...)
Show SMILES O=c1ccc(c[nH]1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H14N2O/c14-11-4-1-7(6-12-11)9-5-8-2-3-10(9)13-8/h1,4,6,8-10,13H,2-3,5H2,(H,12,14)
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107n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]pibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50253141
PNG
([(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-27(17,18)5-28(19,20)26-29(21,22)23/h3,7-9,14H,2,4-5H2,1H3,(H,17,18)(H,19,20)(H,12,15,16)(H2,21,22,23)/p-4/t7-,8+,9+/m0/s1
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600n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50253100
PNG
([(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,14H,3-5H2,(H,16,17)(H,18,19)(H2,11,12,15)(H2,20,21,22)/p-4/t6-,7+,9+/m0/s1
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900n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50253142
PNG
([(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O1 |r|
Show InChI InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-29(19,20)4-30(21,22)28-31(23,24)25/h3,5-7,17H,1-2,4H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,12,14,15,18)/p-4/t5-,6+,7+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50100710
PNG
(5-(1-methylpyrrolidin-2-yl)pyridin-2-ol | 6-hydrox...)
Show SMILES CN1CCCC1c1ccc(=O)[nH]c1
Show InChI InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)
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1.07E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 44: 2229-37 (2001)


BindingDB Entry DOI: 10.7270/Q2BV7HVD
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50377969
PNG
(CHEMBL1162297)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO[P@](O)(=O)C[P@@](O)(=O)OP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-28(18,19)5-29(20,21)27-30(22,23)24/h3-4,6-8,17H,1-2,5H2,(H,18,19)(H,20,21)(H2,12,13,14)(H2,22,23,24)/t6-,7+,8+/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM100728
PNG
(US8507676, 78)
Show SMILES CC(N=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
Show InChI InChI=1S/C17H12F2N6O/c1-9(24-26)13-4-5-15-21-22-16(25(15)23-13)7-11-12(18)8-14-10(17(11)19)3-2-6-20-14/h2-6,8-9H,7H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-...


US Patent US8507676 (2013)


BindingDB Entry DOI: 10.7270/Q2MS3RC9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM100726
PNG
(US8507676, 77-S)
Show SMILES C[C@@H](c1nnc2ccc(nn12)C(C)=NOC(N)=O)c1c(F)cc2ncccc2c1F |r,w:13.15|
Show InChI InChI=1S/C19H15F2N7O2/c1-9(16-12(20)8-14-11(17(16)21)4-3-7-23-14)18-25-24-15-6-5-13(26-28(15)18)10(2)27-30-19(22)29/h3-9H,1-2H3,(H2,22,29)/t9-/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-...


US Patent US8507676 (2013)


BindingDB Entry DOI: 10.7270/Q2MS3RC9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163201
PNG
(US9062045, 40)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cnc2ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc2c1 |r|
Show InChI InChI=1S/C25H25FN8S/c1-15-11-33(12-16(2)29-15)20-6-17-7-21(4-5-23(17)27-10-20)35-25-31-30-24-22(26)8-18(14-34(24)25)19-9-28-32(3)13-19/h4-10,13-16,29H,11-12H2,1-3H3/t15-,16+
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163213
PNG
(US9062045, 53)
Show SMILES Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncc(NCCO)cc4c3)n2c1
Show InChI InChI=1S/C21H19N7OS/c1-27-12-16(10-24-27)14-2-5-20-25-26-21(28(20)13-14)30-18-3-4-19-15(9-18)8-17(11-23-19)22-6-7-29/h2-5,8-13,22,29H,6-7H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163224
PNG
(US9062045, 67)
Show SMILES Cn1cc(cn1)-c1cc(F)c2nnc(Sc3ccc4ncc(cc4c3)N3CCC(F)(F)CC3)n2c1
Show InChI InChI=1S/C24H20F3N7S/c1-32-13-17(11-29-32)16-10-20(25)22-30-31-23(34(22)14-16)35-19-2-3-21-15(9-19)8-18(12-28-21)33-6-4-24(26,27)5-7-33/h2-3,8-14H,4-7H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163174
PNG
(US9062045, 13)
Show SMILES CN(C)[C@H]1CCN(C1)c1cnc2ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc2c1 |r|
Show InChI InChI=1S/C25H25FN8S/c1-31(2)19-6-7-33(15-19)20-8-16-9-21(4-5-23(16)27-12-20)35-25-30-29-24-22(26)10-17(14-34(24)25)18-11-28-32(3)13-18/h4-5,8-14,19H,6-7,15H2,1-3H3/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163205
PNG
(US9062045, 44)
Show SMILES COC1CCN(CC1)c1cnc2ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc2c1
Show InChI InChI=1S/C25H24FN7OS/c1-31-14-18(12-28-31)17-11-22(26)24-29-30-25(33(24)15-17)35-21-3-4-23-16(10-21)9-19(13-27-23)32-7-5-20(34-2)6-8-32/h3-4,9-15,20H,5-8H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163169
PNG
(US9062045, 8)
Show SMILES CN1CCC(CC1)Nc1cnc2ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc2c1
Show InChI InChI=1S/C25H25FN8S/c1-32-7-5-19(6-8-32)29-20-9-16-10-21(3-4-23(16)27-13-20)35-25-31-30-24-22(26)11-17(15-34(24)25)18-12-28-33(2)14-18/h3-4,9-15,19,29H,5-8H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM100724
PNG
(US8507676, 75-S)
Show SMILES CC(N=O)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 |r|
Show InChI InChI=1S/C18H14F2N6O/c1-9(16-12(19)8-14-11(17(16)20)4-3-7-21-14)18-23-22-15-6-5-13(10(2)25-27)24-26(15)18/h3-10H,1-2H3/t9-,10?/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-...


US Patent US8507676 (2013)


BindingDB Entry DOI: 10.7270/Q2MS3RC9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163215
PNG
(US9062045, 55)
Show SMILES Cn1cc(cn1)-c1cc(F)c2nnc(Sc3ccc4ncc(N)cc4c3)n2c1
Show InChI InChI=1S/C19H14FN7S/c1-26-9-13(7-23-26)12-6-16(20)18-24-25-19(27(18)10-12)28-15-2-3-17-11(5-15)4-14(21)8-22-17/h2-10H,21H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM100659
PNG
(US8507676, 8)
Show SMILES CO\N=C(/C)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1
Show InChI InChI=1S/C19H15F2N5O/c1-11(25-27-2)16-5-6-18-23-10-12(26(18)24-16)8-14-15(20)9-17-13(19(14)21)4-3-7-22-17/h3-7,9-10H,8H2,1-2H3/b25-11+
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n/an/a 1.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-...


US Patent US8507676 (2013)


BindingDB Entry DOI: 10.7270/Q2MS3RC9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163183
PNG
(US9062045, 24)
Show SMILES CN1CCN(CC1)c1cnc2ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc2c1
Show InChI InChI=1S/C24H23FN8S/c1-30-5-7-32(8-6-30)19-9-16-10-20(3-4-22(16)26-13-19)34-24-29-28-23-21(25)11-17(15-33(23)24)18-12-27-31(2)14-18/h3-4,9-15H,5-8H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163189
PNG
(US9062045, 30)
Show SMILES Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncc(cc4c3)N3CCC(CC3)N3CCCCC3)n2c1
Show InChI InChI=1S/C29H32N8S/c1-34-19-23(17-31-34)21-5-8-28-32-33-29(37(28)20-21)38-26-6-7-27-22(16-26)15-25(18-30-27)36-13-9-24(10-14-36)35-11-3-2-4-12-35/h5-8,15-20,24H,2-4,9-14H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163180
PNG
(US9062045, 21)
Show SMILES Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncc(cc4c3)N3CCC(N)CC3)n2c1
Show InChI InChI=1S/C24H24N8S/c1-30-14-18(12-27-30)16-2-5-23-28-29-24(32(23)15-16)33-21-3-4-22-17(11-21)10-20(13-26-22)31-8-6-19(25)7-9-31/h2-5,10-15,19H,6-9,25H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163212
PNG
(US9062045, 52)
Show SMILES Cn1cc(cn1)-c1cc(F)c2nnc(Sc3ccc4ncc(NC5CCOC5)cc4c3)n2c1
Show InChI InChI=1S/C23H20FN7OS/c1-30-11-16(9-26-30)15-8-20(24)22-28-29-23(31(22)12-15)33-19-2-3-21-14(7-19)6-18(10-25-21)27-17-4-5-32-13-17/h2-3,6-12,17,27H,4-5,13H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163164
PNG
(US9062045, 3)
Show SMILES CN(C)[C@H]1CCN(C1)c1cnc2ccc(Sc3nnc4ccc(cn34)-c3cnn(C)c3)cc2c1 |r|
Show InChI InChI=1S/C25H26N8S/c1-30(2)20-8-9-32(16-20)21-10-18-11-22(5-6-23(18)26-13-21)34-25-29-28-24-7-4-17(15-33(24)25)19-12-27-31(3)14-19/h4-7,10-15,20H,8-9,16H2,1-3H3/t20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163217
PNG
(US9062045, 57)
Show SMILES C1CN(CCO1)c1cnc2ccc(Sc3nnc4ccc(cn34)-c3cn[nH]c3)cc2c1
Show InChI InChI=1S/C22H19N7OS/c1-4-21-26-27-22(29(21)14-15(1)17-11-24-25-12-17)31-19-2-3-20-16(10-19)9-18(13-23-20)28-5-7-30-8-6-28/h1-4,9-14H,5-8H2,(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163175
PNG
(US9062045, 14)
Show SMILES Cn1cc(cn1)-c1cc(F)c2nnc(Sc3ccc4ncc(cc4c3)N3CCC(CC3)N3CCCC3)n2c1
Show InChI InChI=1S/C28H29FN8S/c1-34-17-21(15-31-34)20-14-25(29)27-32-33-28(37(27)18-20)38-24-4-5-26-19(13-24)12-23(16-30-26)36-10-6-22(7-11-36)35-8-2-3-9-35/h4-5,12-18,22H,2-3,6-11H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163204
PNG
(US9062045, 43)
Show SMILES COC1CCN(CC1)c1cnc2ccc(Sc3nnc4ccc(cn34)-c3cnn(C)c3)cc2c1
Show InChI InChI=1S/C25H25N7OS/c1-30-15-19(13-27-30)17-3-6-24-28-29-25(32(24)16-17)34-22-4-5-23-18(12-22)11-20(14-26-23)31-9-7-21(33-2)8-10-31/h3-6,11-16,21H,7-10H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163234
PNG
(US9062045, 78)
Show SMILES C\C(=N/OCCO)c1ccc2nnc(Sc3ccc4ncc(cc4c3)N3CCOCC3)n2c1
Show InChI InChI=1S/C23H24N6O3S/c1-16(27-32-11-8-30)17-2-5-22-25-26-23(29(22)15-17)33-20-3-4-21-18(13-20)12-19(14-24-21)28-6-9-31-10-7-28/h2-5,12-15,30H,6-11H2,1H3/b27-16+
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163199
PNG
(US9062045, 38)
Show SMILES CC1CN(CC(C)O1)c1cnc2ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc2c1
Show InChI InChI=1S/C25H24FN7OS/c1-15-11-32(12-16(2)34-15)20-6-17-7-21(4-5-23(17)27-10-20)35-25-30-29-24-22(26)8-18(14-33(24)25)19-9-28-31(3)13-19/h4-10,13-16H,11-12H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163198
PNG
(US9062045, 37)
Show SMILES CC1CN(CC(C)O1)c1cnc2ccc(Sc3nnc4ccc(cn34)-c3cnn(C)c3)cc2c1
Show InChI InChI=1S/C25H25N7OS/c1-16-12-31(13-17(2)33-16)21-8-19-9-22(5-6-23(19)26-11-21)34-25-29-28-24-7-4-18(15-32(24)25)20-10-27-30(3)14-20/h4-11,14-17H,12-13H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM100674
PNG
(US8507676, 23)
Show SMILES C\C(=N/OCCO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C18H17N7O2/c1-12(23-27-8-7-26)16-10-20-17-18(21-16)25(24-22-17)11-13-4-5-15-14(9-13)3-2-6-19-15/h2-6,9-10,26H,7-8,11H2,1H3/b23-12+
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n/an/a 2.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-...


US Patent US8507676 (2013)


BindingDB Entry DOI: 10.7270/Q2MS3RC9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM100673
PNG
(US8507676, 22)
Show SMILES CO\N=C(/C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C17H15N7O/c1-11(22-25-2)15-9-19-16-17(20-15)24(23-21-16)10-12-5-6-14-13(8-12)4-3-7-18-14/h3-9H,10H2,1-2H3/b22-11+
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n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-...


US Patent US8507676 (2013)


BindingDB Entry DOI: 10.7270/Q2MS3RC9
More data for this
Ligand-Target Pair
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