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Compile Data Set for Download or QSAR

Found 8 hits from Bristol-Myers Squibb Medical Imaging   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LTB4R


(HUMAN)
BDBM50174609
PNG
((LTB4-(Csa)4)2-Glu-H Conjugate | CHEMBL412510)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CC[C@H](N)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C109H159N23O44S8/c1-108(2,41-19-23-53-175-95-65-79(75-29-9-5-10-30-75)63-82(116-95)77-33-13-7-14-34-77)106-125-127-129-131(106)47-21-17-37-92(133)111-43-25-49-169-55-59-173-61-57-171-51-27-45-113-98(137)84(67-177(145,146)147)119-102(141)88(71-181(157,158)159)123-104(143)90(73-183(163,164)165)121-100(139)86(69-179(151,152)153)115-94(135)40-39-81(110)97(136)118-87(70-180(154,155)156)101(140)122-91(74-184(166,167)168)105(144)124-89(72-182(160,161)162)103(142)120-85(68-178(148,149)150)99(138)114-46-28-52-172-58-62-174-60-56-170-50-26-44-112-93(134)38-18-22-48-132-107(126-128-130-132)109(3,4)42-20-24-54-176-96-66-80(76-31-11-6-12-32-76)64-83(117-96)78-35-15-8-16-36-78/h5-16,29-36,63-66,81,84-91H,17-28,37-62,67-74,110H2,1-4H3,(H,111,133)(H,112,134)(H,113,137)(H,114,138)(H,115,135)(H,118,136)(H,119,141)(H,120,142)(H,121,139)(H,122,140)(H,123,143)(H,124,144)(H,145,146,147)(H,148,149,150)(H,151,152,153)(H,154,155,156)(H,157,158,159)(H,160,161,162)(H,163,164,165)(H,166,167,168)/t81-,84-,85-,86-,87-,88-,89-,90-,91-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 h at 37 degree ...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50174608
PNG
(CHEMBL406432 | HYNIC Conjugate)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)c1ccc(N=NCc2ccccc2)nc1
Show InChI InChI=1S/C65H86N14O22S4/c1-65(2,27-13-15-33-101-58-39-50(47-20-8-4-9-21-47)38-51(70-58)48-22-10-5-11-23-48)64-76-77-78-79(64)30-14-12-24-57(80)66-28-16-31-98-34-36-100-37-35-99-32-17-29-67-60(82)52(42-102(86,87)88)72-62(84)54(44-104(92,93)94)74-63(85)55(45-105(95,96)97)73-61(83)53(43-103(89,90)91)71-59(81)49-25-26-56(68-41-49)75-69-40-46-18-6-3-7-19-46/h3-11,18-23,25-26,38-39,41,52-55H,12-17,24,27-37,40,42-45H2,1-2H3,(H,66,80)(H,67,82)(H,71,81)(H,72,84)(H,73,83)(H,74,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)/t52-,53-,54-,55-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50174610
PNG
(2-[5-Methyl-5-(1H-tetrazol-5-yl)-hexyloxy]-4,6-dip...)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C25H27N5O/c1-25(2,24-27-29-30-28-24)15-9-10-16-31-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3,(H,27,28,29,30)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 h at 37 degree ...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50174607
PNG
(CHEMBL415548 | DTPA Conjugate)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C123H180N26O53S8/c1-122(2,41-19-23-57-201-105-69-88(84-29-9-5-10-30-84)67-91(130-105)86-33-13-7-14-34-86)120-139-141-143-148(120)47-21-17-37-101(150)124-43-25-53-195-59-63-199-65-61-197-55-27-45-126-111(162)93(76-203(171,172)173)132-115(166)97(80-207(183,184)185)136-118(169)99(82-209(189,190)191)135-114(165)95(78-205(177,178)179)129-103(152)40-39-90(128-104(153)71-146(73-108(156)157)51-49-145(72-107(154)155)50-52-147(74-109(158)159)75-110(160)161)113(164)134-96(79-206(180,181)182)117(168)138-100(83-210(192,193)194)119(170)137-98(81-208(186,187)188)116(167)133-94(77-204(174,175)176)112(163)127-46-28-56-198-62-66-200-64-60-196-54-26-44-125-102(151)38-18-22-48-149-121(140-142-144-149)123(3,4)42-20-24-58-202-106-70-89(85-31-11-6-12-32-85)68-92(131-106)87-35-15-8-16-36-87/h5-16,29-36,67-70,90,93-100H,17-28,37-66,71-83H2,1-4H3,(H,124,150)(H,125,151)(H,126,162)(H,127,163)(H,128,153)(H,129,152)(H,132,166)(H,133,167)(H,134,164)(H,135,165)(H,136,169)(H,137,170)(H,138,168)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185)(H,186,187,188)(H,189,190,191)(H,192,193,194)/t90-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50174606
PNG
(CHEMBL384950 | HYNIC Analogue)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N=NCc2ccccc2S([O-])(=O)=O)nc1
Show InChI InChI=1S/C53H66N10O9S/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68/h3-10,17-22,24-25,37-39H,11-16,23,26-36,40H2,1-2H3,(H,54,64)(H,55,65)(H,66,67,68)/p-1
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50174606
PNG
(CHEMBL384950 | HYNIC Analogue)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N=NCc2ccccc2S([O-])(=O)=O)nc1
Show InChI InChI=1S/C53H66N10O9S/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68/h3-10,17-22,24-25,37-39H,11-16,23,26-36,40H2,1-2H3,(H,54,64)(H,55,65)(H,66,67,68)/p-1
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer upon incubation for 1 ...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50174607
PNG
(CHEMBL415548 | DTPA Conjugate)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C123H180N26O53S8/c1-122(2,41-19-23-57-201-105-69-88(84-29-9-5-10-30-84)67-91(130-105)86-33-13-7-14-34-86)120-139-141-143-148(120)47-21-17-37-101(150)124-43-25-53-195-59-63-199-65-61-197-55-27-45-126-111(162)93(76-203(171,172)173)132-115(166)97(80-207(183,184)185)136-118(169)99(82-209(189,190)191)135-114(165)95(78-205(177,178)179)129-103(152)40-39-90(128-104(153)71-146(73-108(156)157)51-49-145(72-107(154)155)50-52-147(74-109(158)159)75-110(160)161)113(164)134-96(79-206(180,181)182)117(168)138-100(83-210(192,193)194)119(170)137-98(81-208(186,187)188)116(167)133-94(77-204(174,175)176)112(163)127-46-28-56-198-62-66-200-64-60-196-54-26-44-125-102(151)38-18-22-48-149-121(140-142-144-149)123(3,4)42-20-24-58-202-106-70-89(85-31-11-6-12-32-85)68-92(131-106)87-35-15-8-16-36-87/h5-16,29-36,67-70,90,93-100H,17-28,37-66,71-83H2,1-4H3,(H,124,150)(H,125,151)(H,126,162)(H,127,163)(H,128,153)(H,129,152)(H,132,166)(H,133,167)(H,134,164)(H,135,165)(H,136,169)(H,137,170)(H,138,168)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185)(H,186,187,188)(H,189,190,191)(H,192,193,194)/t90-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 h at 37 degree ...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50174611
PNG
(CHEMBL437275 | HYNIC Conjugate)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CC[C@H](NC(=O)c1ccc(N=NCc2ccccc2)nc1)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C122H168N26O45S8/c1-121(2,48-22-26-60-192-107-72-90(85-34-12-6-13-35-85)70-93(130-107)87-38-16-8-17-39-87)119-141-143-145-147(119)54-24-20-42-104(149)123-50-28-56-186-62-66-190-68-64-188-58-30-52-125-110(153)95(76-194(162,163)164)133-114(157)99(80-198(174,175)176)137-117(160)101(82-200(180,181)182)136-113(156)97(78-196(168,169)170)129-106(151)47-45-92(132-109(152)89-44-46-103(127-75-89)140-128-74-84-32-10-5-11-33-84)112(155)135-98(79-197(171,172)173)116(159)139-102(83-201(183,184)185)118(161)138-100(81-199(177,178)179)115(158)134-96(77-195(165,166)167)111(154)126-53-31-59-189-65-69-191-67-63-187-57-29-51-124-105(150)43-21-25-55-148-120(142-144-146-148)122(3,4)49-23-27-61-193-108-73-91(86-36-14-7-15-37-86)71-94(131-108)88-40-18-9-19-41-88/h5-19,32-41,44,46,70-73,75,92,95-102H,20-31,42-43,45,47-69,74,76-83H2,1-4H3,(H,123,149)(H,124,150)(H,125,153)(H,126,154)(H,129,151)(H,132,152)(H,133,157)(H,134,158)(H,135,155)(H,136,156)(H,137,160)(H,138,161)(H,139,159)(H,162,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185)/t92-,95-,96-,97-,98-,99-,100-,101-,102-/m0/s1
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Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair