Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-8' and Ligand = 'BDBM50291124'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Interleukin-8 (Homo sapiens (Human))	BDBM50291124 (CHEMBL3856133 | CHEMBL411572 | Interleukin-8 inhib...) Show SMILES CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C114H147N23O36S2/c1-58(2)43-73(124-107(166)81(52-92(148)149)133-110(169)83(54-94(152)153)131-102(161)75(46-62-21-11-8-12-22-62)126-109(168)82(53-93(150)151)132-104(163)77(48-66-56-117-69-26-14-13-25-68(66)69)128-100(159)71(36-41-174-5)120-60(4)139)101(160)129-78(49-88(115)141)105(164)125-74(45-61-19-9-7-10-20-61)98(157)118-55-64-23-15-24-65(44-64)97(156)122-72(37-42-175-6)112(171)137-40-18-29-87(137)114(173)136-39-17-28-86(136)111(170)119-59(3)96(155)123-79(50-90(144)145)106(165)121-70(34-35-89(142)143)99(158)130-80(51-91(146)147)108(167)127-76(47-63-30-32-67(140)33-31-63)103(162)134-84(57-138)113(172)135-38-16-27-85(135)95(116)154/h7-15,19-26,30-33,44,56,58-59,70-87,117,138,140H,16-18,27-29,34-43,45-55,57H2,1-6H3,(H2,115,141)(H2,116,154)(H,118,157)(H,119,170)(H,120,139)(H,121,165)(H,122,156)(H,123,155)(H,124,166)(H,125,164)(H,126,168)(H,127,167)(H,128,159)(H,129,160)(H,130,158)(H,131,161)(H,132,163)(H,133,169)(H,134,162)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)/t59-,70+,71-,72-,73-,74-,75-,76+,77-,78-,79+,80+,81-,82-,83-,84+,85+,86+,87+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Interleukin-8 (IL-8)				Bioorg Med Chem Lett 7: 429-432 (1997) Article DOI: 10.1016/S0960-894X(97)00036-X BindingDB Entry DOI: 10.7270/Q2NK3F2S
					More data for this Ligand-Target Pair