BDBM50174609 (LTB4-(Csa)4)2-Glu-H Conjugate::CHEMBL412510

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

InChI Key: InChIKey=LBTVXEXIIAMTIW-WSJKXOGOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174609   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50174609 ((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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.2	n/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
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