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Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'sharp' and Initial = 'c'   
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


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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
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0.0100n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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
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0.0100n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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
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0.0500n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50079453
PNG
(2-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2...)
Show SMILES CN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:8:6:1:4.3,0:1:6.7:4.3|
Show InChI InChI=1S/C12H15ClN2/c1-15-9-3-4-11(15)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11H,3-4,6H2,1H3
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0.260n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50135594
PNG
((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...)
Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
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0.270n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50135597
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2
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0.430n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50079456
PNG
(2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane | CHEMBL...)
Show SMILES C1CN2CCC1CC2c1cccnc1 |(15.84,-6.24,;14.49,-7,;16.04,-8.15,;16.81,-6.8,;16.04,-5.47,;14.49,-5.47,;13.72,-6.8,;14.49,-8.15,;13.17,-8.93,;11.82,-8.15,;10.5,-8.95,;10.5,-10.47,;11.82,-11.27,;13.17,-10.47,)|
Show InChI InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
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1n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50079454
PNG
(3-Azetidin-2-yl-pyridine | CHEMBL323325)
Show SMILES C1CC(N1)c1cccnc1
Show InChI InChI=1S/C8H10N2/c1-2-7(6-9-4-1)8-3-5-10-8/h1-2,4,6,8,10H,3,5H2
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1.10n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r|
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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2.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50107863
PNG
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)
Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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3.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM85224
PNG
(CAS_1918-18-9 | MCC | SWEP)
Show SMILES COC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
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3.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
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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4n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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4.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50135592
PNG
(2-(5-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cncc(c1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)15-11-16(13-20-12-15)18-8-4-7-17-9-10-19(18)21-17/h1-3,5-6,8,11-13,17,19,21H,4,7,9-10H2
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4.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
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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4.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50135594
PNG
((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...)
Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
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6.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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6.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
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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7.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50107863
PNG
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)
Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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17n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50135595
PNG
(2-(6-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1ccc(nc1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)18-11-9-15(13-20-18)17-8-4-7-16-10-12-19(17)21-16/h1-3,5-6,8-9,11,13,16,19,21H,4,7,10,12H2
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21n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50135597
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2
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23n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50079455
PNG
(CHEMBL46486 | tetramethylammonium)
Show SMILES C[N+](C)(C)C
Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
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24n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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
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25n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha7 subtype using [3H]-S-(-)-nicotine as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50023328
PNG
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)
Show SMILES C1CNC(C1)c1cccnc1
Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
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29n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099934
PNG
(4-[4-(4-Hydroxy-3-methyl-phenyl)-thiazol-2-yl]-5-m...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(O)c(C)c1)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-8-5-9(3-4-12(8)20)11-7-22-15(19-11)10-6-13(14(17)18)23-16(10)21-2/h3-7,20H,1-2H3,(H3,17,18)
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44n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099928
PNG
(CHEMBL28952 | {3-[2-(5-Carbamimidoyl-2-methylsulfa...)
Show SMILES COC(=O)COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C18H17N3O3S3/c1-23-15(22)8-24-11-5-3-4-10(6-11)13-9-26-17(21-13)12-7-14(16(19)20)27-18(12)25-2/h3-7,9H,8H2,1-2H3,(H3,19,20)
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44n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099923
PNG
(CHEMBL29037 | N-{3-[2-(5-Carbamimidoyl-2-methylsul...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(NC(=O)c2ccc(F)cc2)c1)C(N)=N
Show InChI InChI=1S/C22H17FN4OS3/c1-29-22-16(10-18(31-22)19(24)25)21-27-17(11-30-21)13-3-2-4-15(9-13)26-20(28)12-5-7-14(23)8-6-12/h2-11H,1H3,(H3,24,25)(H,26,28)
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47n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50135595
PNG
(2-(6-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1ccc(nc1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)18-11-9-15(13-20-18)17-8-4-7-16-10-12-19(17)21-16/h1-3,5-6,8-9,11,13,16,19,21H,4,7,10,12H2
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56n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109377
PNG
(4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl...)
Show SMILES COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C17H17N3O2S3/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16(20-11)10-7-14(15(18)19)25-17(10)23-3/h4-8H,1-3H3,(H3,18,19)
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58n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098163
PNG
(5-Methylsulfanyl-4-[2-(4-phenoxy-phenylamino)-thia...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H18N4OS3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(25-17)24-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-12H,1H3,(H3,22,23)(H,24,25)
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60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50115622
PNG
(2-Pyridazin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cccnn1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C12H15N3/c1-3-9-6-7-11(14-9)10(4-1)12-5-2-8-13-15-12/h2,4-5,8-9,11,14H,1,3,6-7H2/t9-,11?/m0/s1
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68.4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7


J Med Chem 45: 3235-45 (2002)


BindingDB Entry DOI: 10.7270/Q22N530X
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098169
PNG
(5-Methylsulfanyl-4-[2-(4-phenylamino-phenylamino)-...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H19N5S3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(26-17)25-15-9-7-14(8-10-15)24-13-5-3-2-4-6-13/h2-12,24H,1H3,(H3,22,23)(H,25,26)
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70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098144
PNG
(5-Methyl-4-[2-(4-phenoxy-phenylamino)-thiazol-4-yl...)
Show SMILES Cc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H18N4OS2/c1-13-17(11-19(28-13)20(22)23)18-12-27-21(25-18)24-14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-12H,1H3,(H3,22,23)(H,24,25)
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80n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099902
PNG
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
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86n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50110260
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | 2-P...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2/t11-,13?/m0/s1
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89n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7


J Med Chem 45: 3235-45 (2002)


BindingDB Entry DOI: 10.7270/Q22N530X
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099933
PNG
(5-Methylsulfanyl-4-(4-thiophen-2-yl-thiazol-2-yl)-...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccs1)C(N)=N
Show InChI InChI=1S/C13H11N3S4/c1-17-13-7(5-10(20-13)11(14)15)12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H3,14,15)
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89n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50135597
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2
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89n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand


Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099921
PNG
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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90n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099911
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N
Show InChI InChI=1S/C16H13N3O2S3/c1-22-16-9(5-13(24-16)14(17)18)15-19-10(6-23-15)8-2-3-11-12(4-8)21-7-20-11/h2-6H,7H2,1H3,(H3,17,18)
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91n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50026461
PNG
((+-)-anabasine | 3-(piperidin-2-yl)pyridine | Anab...)
Show SMILES C1CCC(NC1)c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
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92n/an/an/an/an/an/an/an/a



Targacept Inc.

Curated by ChEMBL


Assay Description
Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand


J Med Chem 42: 3066-74 (1999)


Article DOI: 10.1021/jm990093z
BindingDB Entry DOI: 10.7270/Q2445KNP
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099901
PNG
(4-[4-(4-Methanesulfonylamino-phenyl)-thiazol-2-yl]...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(NS(C)(=O)=O)cc1)C(N)=N
Show InChI InChI=1S/C16H16N4O2S4/c1-23-16-11(7-13(25-16)14(17)18)15-19-12(8-24-15)9-3-5-10(6-4-9)20-26(2,21)22/h3-8,20H,1-2H3,(H3,17,18)
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94n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099897
PNG
(5-Methylsulfanyl-4-(4-p-tolyl-thiazol-2-yl)-thioph...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(C)cc1)C(N)=N
Show InChI InChI=1S/C16H15N3S3/c1-9-3-5-10(6-4-9)12-8-21-15(19-12)11-7-13(14(17)18)22-16(11)20-2/h3-8H,1-2H3,(H3,17,18)
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94n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099900
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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99n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099915
PNG
(4-[4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-t...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCCCOc2c1)C(N)=N
Show InChI InChI=1S/C18H17N3O2S3/c1-24-18-11(8-15(26-18)16(19)20)17-21-12(9-25-17)10-3-4-13-14(7-10)23-6-2-5-22-13/h3-4,7-9H,2,5-6H2,1H3,(H3,19,20)
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100n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099921
PNG
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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101n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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
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101n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7


J Med Chem 45: 3235-45 (2002)


BindingDB Entry DOI: 10.7270/Q22N530X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099900
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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102n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109381
PNG
(5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-car...)
Show SMILES Cc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17)
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103n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099896
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiazol-2...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCCOc2c1)C(N)=N
Show InChI InChI=1S/C17H15N3O2S3/c1-23-17-10(7-14(25-17)15(18)19)16-20-11(8-24-16)9-2-3-12-13(6-9)22-5-4-21-12/h2-3,6-8H,4-5H2,1H3,(H3,18,19)
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108n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
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