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Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'stoffel' and Initial = 'r'   
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
Motilin receptor


(Homo sapiens (Human))
BDBM50143028
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50143032
PNG
(8'N-[1-(1-carbamoyl-3-phenylpropylcarbamoyl)-3-phe...)
Show SMILES NC(=O)C(CCc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50212876
PNG
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)
Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)
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2n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212876
PNG
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)
Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)
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2n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50143038
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:30|
Show InChI InChI=1S/C39H43N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16-18,23,29-31,41H,11-12,14-15,19-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212885
PNG
(CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35)
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2.70n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50143039
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1R)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212884
PNG
(CHEMBL245284 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C31H26N2O3/c1-2-33-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)32-31(33)27-19-10-9-18-26(27)24-16-11-17-25(20-24)36-21-28(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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3.30n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50344952
PNG
((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |wU:24.24,8.8,29.33,36.38,6.6,20.21,2.1,12.12,26.27,wD:22.23,10.9,30.32,45.48,12.18,43.46,47.51,15.15,c:42,(6.35,-6.68,;6.37,-5.14,;7.71,-4.39,;7.7,-5.93,;9.03,-6.7,;9.01,-8.24,;10.37,-5.93,;11.7,-6.7,;10.37,-4.39,;11.7,-5.16,;13.03,-5.93,;13.03,-7.47,;14.35,-8.24,;13.56,-9.57,;15.69,-7.47,;15.69,-5.95,;17.02,-5.16,;14.36,-5.16,;15.1,-9.57,;16.64,-9.57,;11.71,-3.64,;13.04,-4.42,;11.72,-2.1,;13.05,-1.34,;14.38,-.56,;15.71,-1.31,;17.04,-.56,;18.37,-1.33,;17.04,.98,;15.71,1.77,;14.38,.98,;13.05,1.75,;15.71,3.31,;17.04,4.08,;14.38,4.08,;14.38,5.62,;10.39,-1.31,;11.72,-.54,;10.39,.23,;9.06,1,;9.08,2.54,;7.73,.23,;8.82,-.85,;7.72,-1.31,;6.38,-.54,;6.39,-2.08,;5.06,-1.29,;6.38,-3.62,;5.04,-4.35,)|
Show InChI InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212877
PNG
(CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36)
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3.40n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212886
PNG
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)
Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
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3.5n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50212876
PNG
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)
Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)
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4n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50029969
PNG
(CHEMBL126078 | [2'-(4,5-Diphenyl-oxazol-2-yl)-biph...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H21NO4/c31-26(32)19-33-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(34-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,31,32)
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6n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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7.40n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212883
PNG
(CHEMBL397385 | {2'-[1-(2-fluoro-ethyl)-4,5-dipheny...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(-c2ccccc2)n1CCF)-c1ccccc1
Show InChI InChI=1S/C31H25FN2O3/c32-18-19-34-30(23-12-5-2-6-13-23)29(22-10-3-1-4-11-22)33-31(34)27-17-8-7-16-26(27)24-14-9-15-25(20-24)37-21-28(35)36/h1-17,20H,18-19,21H2,(H,35,36)
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8.70n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212879
PNG
(CHEMBL248144 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H22N2O3/c32-26(33)19-34-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(31-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,30,31)(H,32,33)
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9.30n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212887
PNG
(CHEMBL394966 | [2'-(4,5-diphenyl-1H-pyrrol-2-yl)-b...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H23NO3/c32-29(33)20-34-24-15-9-14-23(18-24)25-16-7-8-17-26(25)28-19-27(21-10-3-1-4-11-21)30(31-28)22-12-5-2-6-13-22/h1-19,31H,20H2,(H,32,33)
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12n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212877
PNG
(CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36)
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13n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212881
PNG
(CHEMBL396698 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C30H24N2O3/c1-32-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)31-30(32)26-18-9-8-17-25(26)23-15-10-16-24(19-23)35-20-27(33)34/h2-19H,20H2,1H3,(H,33,34)
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13n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212874
PNG
(CHEMBL248145 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O2/c33-26(34)19-30-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-31-27(20-10-3-1-4-11-20)28(32-29)21-12-5-2-6-13-21/h1-18,30H,19H2,(H,31,32)(H,33,34)
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18n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212882
PNG
(CHEMBL248120 | [2'-(5-ethyl-3,4-diphenyl-pyrazol-1...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)C(O)=O)-c1ccccc1)-c1ccccc1 |w:19.22|
Show InChI InChI=1S/C31H26N2O3/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)32-33(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(34)31(35)36/h3-20,30,34H,2H2,1H3,(H,35,36)
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28n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50264552
PNG
((S)-2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)...)
Show SMILES C[C@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-16-7-3-4-8-18(16)14-25(15-20-10-6-12-24-20)22(26)17(2)27-21-11-5-9-19(23)13-21/h3-5,7-9,11,13,17,20,24H,6,10,12,14-15H2,1-2H3/t17-,20+/m0/s1
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30n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50264523
PNG
((S)-N-benzyl-2-(3-chlorophenoxy)-N-((R)-pyrrolidin...)
Show SMILES C[C@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H25ClN2O2/c1-16(26-20-11-5-9-18(22)13-20)21(25)24(15-19-10-6-12-23-19)14-17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19,23H,6,10,12,14-15H2,1H3/t16-,19+/m0/s1
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30n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212886
PNG
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)
Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
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32n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50002838
PNG
(5-(2-(4,5-diphenyloxazol-2-yl)phenoxy)pentanoic ac...)
Show SMILES OC(=O)CCCCOc1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H23NO4/c28-23(29)17-9-10-18-30-22-16-8-7-15-21(22)26-27-24(19-11-3-1-4-12-19)25(31-26)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,28,29)
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32n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212878
PNG
(CHEMBL246902 | [2'-(4,5-diphenyl-furan-2-yl)-biphe...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H22O4/c31-29(32)20-33-24-15-9-14-23(18-24)25-16-7-8-17-26(25)28-19-27(21-10-3-1-4-11-21)30(34-28)22-12-5-2-6-13-22/h1-19H,20H2,(H,31,32)
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36n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212885
PNG
(CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35)
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48n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50002838
PNG
(5-(2-(4,5-diphenyloxazol-2-yl)phenoxy)pentanoic ac...)
Show SMILES OC(=O)CCCCOc1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H23NO4/c28-23(29)17-9-10-18-30-22-16-8-7-15-21(22)26-27-24(19-11-3-1-4-12-19)25(31-26)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,28,29)
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58n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50264357
PNG
(2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)-1-p...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-16-7-3-4-8-18(16)14-25(15-20-10-6-12-24-20)22(26)17(2)27-21-11-5-9-19(23)13-21/h3-5,7-9,11,13,17,20,24H,6,10,12,14-15H2,1-2H3/t17?,20-/m1/s1
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90n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50029969
PNG
(CHEMBL126078 | [2'-(4,5-Diphenyl-oxazol-2-yl)-biph...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H21NO4/c31-26(32)19-33-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(34-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,31,32)
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95n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50212875
PNG
(2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O2/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)31-32(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(33)34/h3-20H,2H2,1H3,(H,33,34)
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110n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212880
PNG
(CHEMBL245857 | [2'-(1-isobutyl-4,5-diphenyl-1H-imi...)
Show SMILES CC(C)Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C33H31N3O2/c1-23(2)22-36-32(25-14-7-4-8-15-25)31(24-12-5-3-6-13-24)35-33(36)29-19-10-9-18-28(29)26-16-11-17-27(20-26)34-21-30(37)38/h3-20,23,34H,21-22H2,1-2H3,(H,37,38)
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130n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
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)/b10-9-
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185n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50212886
PNG
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)
Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
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220n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50212875
PNG
(2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O2/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)31-32(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(33)34/h3-20H,2H2,1H3,(H,33,34)
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240n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
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)/b10-9-
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248n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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250n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50264521
PNG
((S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-((...)
Show SMILES C[C@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 |r|
Show InChI InChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15-,19+/m0/s1
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250n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50264486
PNG
(CHEMBL489401 | N-(4-acetamidophenyl)-2-(3-chloroph...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 |r|
Show InChI InChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15?,19-/m1/s1
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260n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50212886
PNG
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)
Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
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290n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50264256
PNG
(CHEMBL489370 | N-benzyl-2-(3-chlorophenoxy)-N-((R)...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H25ClN2O2/c1-16(26-20-11-5-9-18(22)13-20)21(25)24(15-19-10-6-12-23-19)14-17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19,23H,6,10,12,14-15H2,1H3/t16?,19-/m1/s1
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300n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212874
PNG
(CHEMBL248145 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O2/c33-26(34)19-30-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-31-27(20-10-3-1-4-11-20)28(32-29)21-12-5-2-6-13-21/h1-18,30H,19H2,(H,31,32)(H,33,34)
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300n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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336n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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350n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50212882
PNG
(CHEMBL248120 | [2'-(5-ethyl-3,4-diphenyl-pyrazol-1...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)C(O)=O)-c1ccccc1)-c1ccccc1 |w:19.22|
Show InChI InChI=1S/C31H26N2O3/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)32-33(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(34)31(35)36/h3-20,30,34H,2H2,1H3,(H,35,36)
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360n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50212882
PNG
(CHEMBL248120 | [2'-(5-ethyl-3,4-diphenyl-pyrazol-1...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)C(O)=O)-c1ccccc1)-c1ccccc1 |w:19.22|
Show InChI InChI=1S/C31H26N2O3/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)32-33(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(34)31(35)36/h3-20,30,34H,2H2,1H3,(H,35,36)
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550n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212875
PNG
(2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O2/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)31-32(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(33)34/h3-20H,2H2,1H3,(H,33,34)
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650n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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802n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50212884
PNG
(CHEMBL245284 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C31H26N2O3/c1-2-33-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)32-31(33)27-19-10-9-18-26(27)24-16-11-17-25(20-24)36-21-28(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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830n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
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