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BDBM50174611 CHEMBL437275::HYNIC Conjugate

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

InChI Key: InChIKey=KXBKBOJKESCAII-GNCPCNMMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174611   
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
Leukotriene B4 receptor


(Homo sapiens (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 |w:101.105|
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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Similars

Article
PubMed
n/an/a 230n/an/an/an/a7.2n/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