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BDBM50174608 CHEMBL406432::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)c1ccc(N=NCc2ccccc2)nc1

InChI Key: InChIKey=FNQRVEPQOVMCSG-RWNJCICYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174608   
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))		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 |w:95.99|
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
PDB

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Similars
Article
PubMed
n/an/a 16n/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