Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-8' and Ligand = 'BDBM50291130'   

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))	BDBM50291130 (CHEMBL3856130 | CHEMBL405300 | 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)NCCCC(=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/C91H121N19O32S2/c1-46(77(128)99-61(40-72(119)120)84(135)98-54(26-27-70(115)116)79(130)104-62(41-73(121)122)85(136)101-58(37-49-22-24-51(113)25-23-49)82(133)107-65(45-111)90(141)108-31-11-18-66(108)76(92)127)95-88(139)67-19-12-32-109(67)91(142)68-20-13-33-110(68)89(140)56(29-35-144-4)97-69(114)21-10-30-93-78(129)60(39-71(117)118)103-87(138)64(43-75(125)126)105-81(132)57(36-48-14-6-5-7-15-48)100-86(137)63(42-74(123)124)106-83(134)59(38-50-44-94-53-17-9-8-16-52(50)53)102-80(131)55(28-34-143-3)96-47(2)112/h5-9,14-17,22-25,44,46,54-68,94,111,113H,10-13,18-21,26-43,45H2,1-4H3,(H2,92,127)(H,93,129)(H,95,139)(H,96,112)(H,97,114)(H,98,135)(H,99,128)(H,100,137)(H,101,136)(H,102,131)(H,103,138)(H,104,130)(H,105,132)(H,106,134)(H,107,133)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)/t46-,54-,55-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/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	1.40E+4	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
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