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Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'bell' and Initial = 'jl'   
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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022499
PNG
(7-methoxyspiro[3,4-dihydro-2H-benzo[h]chromene-4,4...)
Show SMILES COc1cccc2c3OCCC4(NC(=O)NC4=O)c3ccc12
Show InChI InChI=1S/C16H14N2O4/c1-21-12-4-2-3-10-9(12)5-6-11-13(10)22-8-7-16(11)14(19)17-15(20)18-16/h2-6H,7-8H2,1H3,(H2,17,18,19,20)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50226987
PNG
(CHEMBL78819)
Show SMILES Cc1cc(Cl)cc2c1OCCC21NC(=O)NC1=O
Show InChI InChI=1S/C12H11ClN2O3/c1-6-4-7(13)5-8-9(6)18-3-2-12(8)10(16)14-11(17)15-12/h4-5H,2-3H2,1H3,(H2,14,15,16,17)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022415
PNG
(6-chloro-(4'S)-spiro[3,4-dihydro-2H-chromene-4,5'-...)
Show SMILES OC1=NC(=O)[C@@]2(CCOc3ccc(Cl)cc23)O1 |t:1|
Show InChI InChI=1S/C11H8ClNO4/c12-6-1-2-8-7(5-6)11(3-4-16-8)9(14)13-10(15)17-11/h1-2,5H,3-4H2,(H,13,14,15)/t11-/m0/s1
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022480
PNG
(CHEMBL78963 | c6-chlorospiro[3,4-dihydro-2H-chrome...)
Show SMILES Clc1ccc2OCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9ClN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50226984
PNG
(CHEMBL77679)
Show SMILES Clc1cc2OCCC3(NC(=O)NC3=O)c2cc1Cl
Show InChI InChI=1S/C11H8Cl2N2O3/c12-6-3-5-8(4-7(6)13)18-2-1-11(5)9(16)14-10(17)15-11/h3-4H,1-2H2,(H2,14,15,16,17)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50226983
PNG
(CHEMBL79461)
Show SMILES Fc1ccc2SCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O2S/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50227014
PNG
(CHEMBL432927)
Show SMILES Clc1cc2c3n(CCC22NC(=O)NC2=O)c(=O)ccc3c1
Show InChI InChI=1S/C14H10ClN3O3/c15-8-5-7-1-2-10(19)18-4-3-14(9(6-8)11(7)18)12(20)16-13(21)17-14/h1-2,5-6H,3-4H2,(H2,16,17,20,21)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022424
PNG
(6',8'-dichlorospiro[tetrahydro-1H-imidazole-4,4'-(...)
Show SMILES Clc1cc(Cl)c2c(c1)C1(CCS2(=O)=O)NC(=O)NC1=O
Show InChI InChI=1S/C11H8Cl2N2O4S/c12-5-3-6-8(7(13)4-5)20(18,19)2-1-11(6)9(16)14-10(17)15-11/h3-4H,1-2H2,(H2,14,15,16,17)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50226988
PNG
(CHEMBL81536)
Show SMILES Clc1cc2SCCC3(NC(=O)NC3=O)c2cc1Cl
Show InChI InChI=1S/C11H8Cl2N2O2S/c12-6-3-5-8(4-7(6)13)18-2-1-11(5)9(16)14-10(17)15-11/h3-4H,1-2H2,(H2,14,15,16,17)
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Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase; value ranges from 10E-5 to 10E-6

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50226985
PNG
(CHEMBL309288)
Show SMILES Clc1cc(Cl)c2OCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H8Cl2N2O3/c12-5-3-6-8(7(13)4-5)18-2-1-11(6)9(16)14-10(17)15-11/h3-4H,1-2H2,(H2,14,15,16,17)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50226991
PNG
(CHEMBL419474)
Show SMILES Clc1cc2c(OCCC22NC(=O)NC2=O)c2ccccc12
Show InChI InChI=1S/C15H11ClN2O3/c16-11-7-10-12(9-4-2-1-3-8(9)11)21-6-5-15(10)13(19)17-14(20)18-15/h1-4,7H,5-6H2,(H2,17,18,19,20)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022470
PNG
(6',8'-dichlorospiro[tetrahydro-1H-imidazole-4,4'-(...)
Show SMILES Clc1cc(Cl)c2SCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H8Cl2N2O2S/c12-5-3-6-8(7(13)4-5)18-2-1-11(6)9(16)14-10(17)15-11/h3-4H,1-2H2,(H2,14,15,16,17)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human placenta aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022422
PNG
(6-methylsulfanylspiro[3,4-dihydro-2H-chromene-4,4'...)
Show SMILES CSc1ccc2OCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C12H12N2O3S/c1-18-7-2-3-9-8(6-7)12(4-5-17-9)10(15)13-11(16)14-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022423
PNG
(7'-chlorospiro[tetrahydro-1H-imidazole-4,4'-(3',4'...)
Show SMILES Clc1ccc2c(SCCC22NC(=O)NC2=O)c1
Show InChI InChI=1S/C11H9ClN2O2S/c12-6-1-2-7-8(5-6)17-4-3-11(7)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022471
PNG
(5,7,8-trimethylspiro[3,4-dihydro-2H-chromene-4,4'-...)
Show SMILES Cc1cc(C)c2c(OCCC22NC(=O)NC2=O)c1C
Show InChI InChI=1S/C14H16N2O3/c1-7-6-8(2)10-11(9(7)3)19-5-4-14(10)12(17)15-13(18)16-14/h6H,4-5H2,1-3H3,(H2,15,16,17,18)
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Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022492
PNG
(8-chlorospiro[3,4-dihydro-2H-chromene-4,4'-(tetrah...)
Show SMILES Clc1cccc2c1OCCC21NC(=O)NC1=O
Show InChI InChI=1S/C11H9ClN2O3/c12-7-3-1-2-6-8(7)17-5-4-11(6)9(15)13-10(16)14-11/h1-3H,4-5H2,(H2,13,14,15,16)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022396
PNG
(7-trifluoromethylspiro[3,4-dihydro-2H-chromene-4,4...)
Show SMILES FC(F)(F)c1ccc2c(OCCC22NC(=O)NC2=O)c1
Show InChI InChI=1S/C12H9F3N2O3/c13-12(14,15)6-1-2-7-8(5-6)20-4-3-11(7)9(18)16-10(19)17-11/h1-2,5H,3-4H2,(H2,16,17,18,19)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022393
PNG
(5,8-dimethylspiro[3,4-dihydro-2H-chromene-4,4'-(te...)
Show SMILES Cc1ccc(C)c2c1OCCC21NC(=O)NC1=O
Show InChI InChI=1S/C13H14N2O3/c1-7-3-4-8(2)10-9(7)13(5-6-18-10)11(16)14-12(17)15-13/h3-4H,5-6H2,1-2H3,(H2,14,15,16,17)
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Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022473
PNG
(6-bromospiro[3,4-dihydro-2H-chromene-4,4'-(tetrahy...)
Show SMILES Brc1ccc2OCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9BrN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022401
PNG
(8-phenylspiro[3,4-dihydro-2H-chromene-4,4'-(tetrah...)
Show SMILES O=C1NC(=O)C2(CCOc3c(cccc23)-c2ccccc2)N1
Show InChI InChI=1S/C17H14N2O3/c20-15-17(19-16(21)18-15)9-10-22-14-12(7-4-8-13(14)17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20,21)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022458
PNG
(6'-chlorospiro[tetrahydro-1H-imidazole-4,4'-(3',4'...)
Show SMILES Clc1ccc2SCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9ClN2O2S/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022435
PNG
(6'-fluorospiro[tetrahydro-1H-imidazole-4,4'-(3',4'...)
Show SMILES Fc1ccc2SCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O2S/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022418
PNG
((1-Carboxymethyl-cyclopentyl)-acetic acid(TMG) | 3...)
Show SMILES OC(=O)CC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022391
PNG
(6'-bromospiro[tetrahydro-1H-imidazole-4,4'-(3',4'-...)
Show SMILES Brc1ccc2SCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9BrN2O2S/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022398
PNG
((+)-6-chloro-2,3-dihydro-2'H,4'H-spiro[chromene-4,...)
Show SMILES OC1=NC(=O)C2(CCOc3ccc(Cl)cc23)O1 |t:1|
Show InChI InChI=1S/C11H8ClNO4/c12-6-1-2-8-7(5-6)11(3-4-16-8)9(14)13-10(15)17-11/h1-2,5H,3-4H2,(H,13,14,15)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022407
PNG
(6'-fluorospiro[tetrahydro-1H-imidazole-4,4'-(3',4'...)
Show SMILES Fc1ccc2c(c1)C1(CCS2(=O)=O)NC(=O)NC1=O
Show InChI InChI=1S/C11H9FN2O4S/c12-6-1-2-8-7(5-6)11(3-4-19(8,17)18)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022436
PNG
(CHEMBL312392 | spiro[tetrahydro-1H-imidazole-4,1'-...)
Show SMILES O=C1NC(=O)C2(CCn3c4c2cccc4ccc3=O)N1
Show InChI InChI=1S/C14H11N3O3/c18-10-5-4-8-2-1-3-9-11(8)17(10)7-6-14(9)12(19)15-13(20)16-14/h1-5H,6-7H2,(H2,15,16,19,20)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022434
PNG
(CHEMBL81601 | spiro[tetrahydro-1H-imidazole-4,4'-(...)
Show SMILES O=C1NC(=O)C2(CCOc3c2ccc2ncccc32)N1
Show InChI InChI=1S/C14H11N3O3/c18-12-14(17-13(19)16-12)5-7-20-11-8-2-1-6-15-10(8)4-3-9(11)14/h1-4,6H,5,7H2,(H2,16,17,18,19)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022459
PNG
(6'-fluorospiro[tetrahydro-1H-imidazole-4,4'-(3',4'...)
Show SMILES Fc1ccc2c(c1)C1(CCS2=O)NC(=O)NC1=O
Show InChI InChI=1S/C11H9FN2O3S/c12-6-1-2-8-7(5-6)11(3-4-18(8)17)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50022498
PNG
(6-Chloro-3,4-dihydro-2H-benzo[h]chromene-4-carboxy...)
Show SMILES OC(=O)C1CCOc2c1cc(Cl)c1ccccc21
Show InChI InChI=1S/C14H11ClO3/c15-12-7-11-10(14(16)17)5-6-18-13(11)9-4-2-1-3-8(9)12/h1-4,7,10H,5-6H2,(H,16,17)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-related GTP-binding protein RhoC


(Homo sapiens)		BDBM50481356
PNG
(CCG-1423 | CHEMBL595382)
Show SMILES CC(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9,15,26,28H,1H3,(H,27,29)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay

Bioorg Med Chem Lett 20: 665-72 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.056
BindingDB Entry DOI: 10.7270/Q29S1TTD
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436224
PNG
(CHEMBL2398697)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H22F6N2O3/c28-26(29,30)19-12-18(13-20(14-19)27(31,32)33)25(37)35-11-5-6-17(16-35)24(36)34-21-7-4-10-23(15-21)38-22-8-2-1-3-9-22/h1-4,7-10,12-15,17H,5-6,11,16H2,(H,34,36)
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College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436223
PNG
(CHEMBL2398698)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C28H24F6N2O2/c29-27(30,31)22-14-21(15-23(16-22)28(32,33)34)26(38)36-11-5-9-20(17-36)25(37)35-24-10-4-8-19(13-24)12-18-6-2-1-3-7-18/h1-4,6-8,10,13-16,20H,5,9,11-12,17H2,(H,35,37)
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College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Rho-related GTP-binding protein RhoC


(Homo sapiens)		BDBM50481362
PNG
(CHEMBL591786)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13ClF6N2O2/c23-16-4-6-17(7-5-16)30-19(32)12-2-1-3-18(10-12)31-20(33)13-8-14(21(24,25)26)11-15(9-13)22(27,28)29/h1-11H,(H,30,32)(H,31,33)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay

Bioorg Med Chem Lett 20: 665-72 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.056
BindingDB Entry DOI: 10.7270/Q29S1TTD
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436222
PNG
(CHEMBL2398699)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(OCCc2ccccn2)c1
Show InChI InChI=1S/C28H25F6N3O3/c29-27(30,31)20-13-19(14-21(15-20)28(32,33)34)26(39)37-11-4-5-18(17-37)25(38)36-23-7-3-8-24(16-23)40-12-9-22-6-1-2-10-35-22/h1-3,6-8,10,13-16,18H,4-5,9,11-12,17H2,(H,36,38)
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College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Rho-related GTP-binding protein RhoC


(Homo sapiens)		BDBM50481364
PNG
(CHEMBL606913)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H11ClF6N2OS/c20-14-3-1-10(2-4-14)17-28-15(9-30-17)8-27-16(29)11-5-12(18(21,22)23)7-13(6-11)19(24,25)26/h1-7,9H,8H2,(H,27,29)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay

Bioorg Med Chem Lett 20: 665-72 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.056
BindingDB Entry DOI: 10.7270/Q29S1TTD
More data for this
Ligand-Target Pair
Rho-related GTP-binding protein RhoC


(Homo sapiens)		BDBM50481352
PNG
(CHEMBL589372)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1=NOC(CC(=O)Nc2ccc(Cl)cc2)C1 |t:15|
Show InChI InChI=1S/C19H13ClF6N2O2/c20-13-1-3-14(4-2-13)27-17(29)9-15-8-16(28-30-15)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-7,15H,8-9H2,(H,27,29)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay

Bioorg Med Chem Lett 20: 665-72 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.056
BindingDB Entry DOI: 10.7270/Q29S1TTD
More data for this
Ligand-Target Pair
Rho-related GTP-binding protein RhoC/Transforming protein RhoA


(Homo sapiens (Human))		BDBM50481337
PNG
(CHEMBL594911)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NOCC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClF6N2O3/c18-12-1-3-13(4-2-12)25-14(27)8-29-26-15(28)9-5-10(16(19,20)21)7-11(6-9)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay

Bioorg Med Chem Lett 20: 665-72 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.056
BindingDB Entry DOI: 10.7270/Q29S1TTD
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436244
PNG
(CHEMBL2398669)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21ClN2O2S/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Rho-related GTP-binding protein RhoC


(Homo sapiens)		BDBM50481343
PNG
(CHEMBL590596)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NCCCNc1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClF6N2O/c19-14-2-4-15(5-3-14)26-6-1-7-27-16(28)11-8-12(17(20,21)22)10-13(9-11)18(23,24)25/h2-5,8-10,26H,1,6-7H2,(H,27,28)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay

Bioorg Med Chem Lett 20: 665-72 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.056
BindingDB Entry DOI: 10.7270/Q29S1TTD
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436236
PNG
(CHEMBL2398678)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human SK-Mel-147 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene ...

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436221
PNG
(CHEMBL2398700)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C25H25F6N3O4S/c26-24(27,28)18-11-17(12-19(13-18)25(29,30)31)23(36)33-8-4-5-16(15-33)22(35)32-20-6-3-7-21(14-20)39(37,38)34-9-1-2-10-34/h3,6-7,11-14,16H,1-2,4-5,8-10,15H2,(H,32,35)
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n/an/a 5.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Rho-related GTP-binding protein RhoC


(Homo sapiens)		BDBM50481340
PNG
(CHEMBL591077)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NOCC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClF6N2O3/c18-12-2-1-3-13(7-12)25-14(27)8-29-26-15(28)9-4-10(16(19,20)21)6-11(5-9)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28)
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay

Bioorg Med Chem Lett 20: 665-72 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.056
BindingDB Entry DOI: 10.7270/Q29S1TTD
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436255
PNG
(CHEMBL2398701)
Show SMILES Cc1nc(cs1)-c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F6N3O2S/c1-14-32-21(13-37-14)15-4-2-6-20(10-15)33-22(35)16-5-3-7-34(12-16)23(36)17-8-18(24(26,27)28)11-19(9-17)25(29,30)31/h2,4,6,8-11,13,16H,3,5,7,12H2,1H3,(H,33,35)
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n/an/a 6.10E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436236
PNG
(CHEMBL2398678)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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n/an/a 6.40E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436241
PNG
(CHEMBL2398672)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(OCc2ccccn2)c1
Show InChI InChI=1S/C27H23F6N3O3/c28-26(29,30)19-11-18(12-20(13-19)27(31,32)33)25(38)36-10-4-5-17(15-36)24(37)35-21-7-3-8-23(14-21)39-16-22-6-1-2-9-34-22/h1-3,6-9,11-14,17H,4-5,10,15-16H2,(H,35,37)
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n/an/a 7.40E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50022494
PNG
(2-(2,5-Dioxo-imidazolidin-4-yl)-benzo[de]isoquinol...)
Show SMILES Oc1[nH]c(=O)[nH]c1N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C15H9N3O4/c19-12-11(16-15(22)17-12)18-13(20)8-5-1-3-7-4-2-6-9(10(7)8)14(18)21/h1-6,19H,(H2,16,17,22)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified human placenta aldose reductase

J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50436254
PNG
(CHEMBL2398702)
Show SMILES CCc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H22F6N2O2/c1-2-14-5-3-7-19(9-14)30-20(32)15-6-4-8-31(13-15)21(33)16-10-17(22(24,25)26)12-18(11-16)23(27,28)29/h3,5,7,9-12,15H,2,4,6,8,13H2,1H3,(H,30,32)
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n/an/a 8.10E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
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