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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'sugiyama' and Initial = 's'   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026750
PNG
(CHEMBL3354618)
Show SMILES Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9|
Show InChI InChI=1/C30H30ClNO4S/c1-18-5-3-6-19(2)28(18)29-27(33)17-22(30(29)34)15-20-7-4-8-21-16-24(11-14-26(20)21)32-37(35,36)25-12-9-23(31)10-13-25/h3-10,12-13,22,24,32-33H,11,14-17H2,1-2H3
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n/an/a 0.0150n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026748
PNG
(CHEMBL3354616)
Show SMILES COc1ccc(cc1)C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9|
Show InChI InChI=1/C29H28ClNO5S/c1-36-24-10-5-18(6-11-24)28-27(32)17-21(29(28)33)15-19-3-2-4-20-16-23(9-14-26(19)20)31-37(34,35)25-12-7-22(30)8-13-25/h2-8,10-13,21,23,31-32H,9,14-17H2,1H3
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n/an/a 0.0520n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026760
PNG
(CHEMBL3354614)
Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 |t:1|
Show InChI InChI=1/C28H26ClNO4S/c29-22-9-12-24(13-10-22)35(33,34)30-23-11-14-25-19(7-4-8-20(25)16-23)15-21-17-26(31)27(28(21)32)18-5-2-1-3-6-18/h1-10,12-13,21,23,30-31H,11,14-17H2
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n/an/a 3.90n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026761
PNG
(CHEMBL3354615)
Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1 |t:1|
Show InChI InChI=1/C28H25ClFNO4S/c29-21-6-11-24(12-7-21)36(34,35)31-23-10-13-25-18(2-1-3-19(25)15-23)14-20-16-26(32)27(28(20)33)17-4-8-22(30)9-5-17/h1-9,11-12,20,23,31-32H,10,13-16H2
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n/an/a 6.5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against human Aldose reductase (human AR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026759
PNG
(CHEMBL3354613)
Show SMILES CC1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:1|
Show InChI InChI=1/C23H24ClNO4S/c1-14-22(26)13-17(23(14)27)11-15-3-2-4-16-12-19(7-10-21(15)16)25-30(28,29)20-8-5-18(24)6-9-20/h2-6,8-9,17,19,25-26H,7,10-13H2,1H3
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n/an/a 11n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026758
PNG
(CHEMBL3335473)
Show SMILES OC(=O)Cc1cccc2CC(CCc12)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C18H18ClNO4S/c19-14-4-7-16(8-5-14)25(23,24)20-15-6-9-17-12(10-15)2-1-3-13(17)11-18(21)22/h1-5,7-8,15,20H,6,9-11H2,(H,21,22)
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n/an/a 11n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026753
PNG
(S-18886 | TERUTROBAN | Terutroban)
Show SMILES Cc1ccc2C[C@@H](CCc2c1CCC(O)=O)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C20H22ClNO4S/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24)/t16-/s2
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n/an/a 16n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026751
PNG
(CHEMBL3354619)
Show SMILES OC1=C(Cc2ccccc2)C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1 |c:1|
Show InChI InChI=1/C29H28ClNO4S/c30-23-9-12-25(13-10-23)36(34,35)31-24-11-14-26-20(7-4-8-21(26)17-24)16-22-18-28(32)27(29(22)33)15-19-5-2-1-3-6-19/h1-10,12-13,22,24,31-32H,11,14-18H2
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n/an/a 29n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against rat Aldose reductase (AR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026755
PNG
(CHEMBL3335482)
Show SMILES OC1=C(C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1)c1ccccc1 |t:1|
Show InChI InChI=1/C26H24ClNO4S/c27-22-9-11-23(12-10-22)33(31,32)28-14-13-18-5-4-6-19(15-18)16-21-17-24(29)25(26(21)30)20-7-2-1-3-8-20/h1-12,15,21,28-29H,13-14,16-17H2
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n/an/a 59n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50353640
PNG
(CHEMBL65121)
Show SMILES OC(=O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H18ClNO4S/c18-15-5-7-16(8-6-15)24(22,23)19-11-10-14-3-1-2-13(12-14)4-9-17(20)21/h1-3,5-8,12,19H,4,9-11H2,(H,20,21)
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n/an/a 523n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50089423
PNG
((2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-...)
Show SMILES NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against rat Aldose reductase (AR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026754
PNG
(CHEMBL3335481)
Show SMILES Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3CCCCc23)C1=O |c:9|
Show InChI InChI=1/C24H26O2/c1-15-7-5-8-16(2)22(15)23-21(25)14-19(24(23)26)13-18-11-6-10-17-9-3-4-12-20(17)18/h5-8,10-11,19,25H,3-4,9,12-14H2,1-2H3
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n/an/a 891n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026757
PNG
(CHEMBL3335483)
Show SMILES OC1=C(C2CCCCC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 |c:1|
Show InChI InChI=1/C26H30ClNO4S/c27-22-9-11-23(12-10-22)33(31,32)28-14-13-18-5-4-6-19(15-18)16-21-17-24(29)25(26(21)30)20-7-2-1-3-8-20/h4-6,9-12,15,20-21,28-29H,1-3,7-8,13-14,16-17H2
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n/an/a 892n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
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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n/an/a 900n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against rat Aldose reductase (AR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldehyde reductase


(Homo sapiens (Human))
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against human aldehyde reductase (AHR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(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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n/an/a 2.00E+3n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against human Aldose reductase (human AR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026749
PNG
(CHEMBL3354617)
Show SMILES CC(C)COC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1c(C)cccc1C |t:5|
Show InChI InChI=1/C34H38ClNO4S/c1-21(2)20-40-31-19-26(34(37)33(31)32-22(3)7-5-8-23(32)4)17-24-9-6-10-25-18-28(13-16-30(24)25)36-41(38,39)29-14-11-27(35)12-15-29/h5-12,14-15,21,26,28,36H,13,16-20H2,1-4H3
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n/an/a 2.76E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Aldehyde reductase


(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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n/an/a 5.40E+3n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against human aldehyde reductase (AHR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448439
PNG
(CHEMBL3122152)
Show SMILES CCCCCCCCCCC\C=C/CCCCC([O-])=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-
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n/an/an/a 401n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448437
PNG
(CHEMBL3122151 | Oleate)
Show SMILES CCCCCCCC\C=C/CCCCCCCC([O-])=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-
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n/an/an/a 7.33E+4n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448438
PNG
(CHEMBL3122153)
Show SMILES CCCCCCCC\C=C\CCCCCCCC([O-])=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+
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n/an/an/a 3.59E+5n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448439
PNG
(CHEMBL3122152)
Show SMILES CCCCCCCCCCC\C=C/CCCCC([O-])=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-
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n/an/an/a 5.42E+4n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50429933
PNG
(CHEMBL2334255)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/an/a 2.11E+3n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 16 uM by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448438
PNG
(CHEMBL3122153)
Show SMILES CCCCCCCC\C=C\CCCCCCCC([O-])=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+
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n/an/an/a 74n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448437
PNG
(CHEMBL3122151 | Oleate)
Show SMILES CCCCCCCC\C=C/CCCCCCCC([O-])=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-
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n/an/an/a 159n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448436
PNG
(CHEMBL3122087)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-
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n/an/an/a 2.80n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448435
PNG
(CHEMBL3122088)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-
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n/an/an/a 6.85E+3n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448440
PNG
(CHEMBL1235508)
Show SMILES CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC |r|
Show InChI InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1
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n/an/an/a 3.60n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50448435
PNG
(CHEMBL3122088)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-
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n/an/an/a 0.200n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis


Bioorg Med Chem 22: 1804-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.001
BindingDB Entry DOI: 10.7270/Q2SJ1N49
More data for this
Ligand-Target Pair