BDBM50291121 CHEMBL2370828::CHEMBL3856124::Interleukin-8 inhibitor, 6

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)NC([C@@H](C)O)C(=O)NCCCCC(=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

InChI Key: InChIKey=USYYHAOZOBQWGB-XSBZFMCZSA-N

Data: 1 KI

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 = 50291121   

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
Interleukin-8 (Homo sapiens (Human))	BDBM50291121 (CHEMBL2370828 | CHEMBL3856124 | Interleukin-8 inhi...) 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)NC([C@@H](C)O)C(=O)NCCCCC(=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/C110H147N23O37S/c1-55(2)42-68(119-102(162)76(50-88(146)147)128-105(165)78(52-90(150)151)126-97(157)69(43-59-20-9-7-10-21-59)120-104(164)77(51-89(148)149)127-99(159)72(46-62-53-114-65-25-14-13-24-64(62)65)123-95(155)67(36-41-171-6)116-58(5)136)96(156)124-73(47-83(111)138)100(160)122-71(44-60-22-11-8-12-23-60)106(166)130-91(57(4)135)108(168)113-37-16-15-29-84(139)131-38-19-28-82(131)110(170)133-40-18-27-81(133)107(167)115-56(3)93(153)118-74(48-86(142)143)101(161)117-66(34-35-85(140)141)94(154)125-75(49-87(144)145)103(163)121-70(45-61-30-32-63(137)33-31-61)98(158)129-79(54-134)109(169)132-39-17-26-80(132)92(112)152/h7-14,20-25,30-33,53,55-57,66-82,91,114,134-135,137H,15-19,26-29,34-52,54H2,1-6H3,(H2,111,138)(H2,112,152)(H,113,168)(H,115,167)(H,116,136)(H,117,161)(H,118,153)(H,119,162)(H,120,164)(H,121,163)(H,122,160)(H,123,155)(H,124,156)(H,125,154)(H,126,157)(H,127,159)(H,128,165)(H,129,158)(H,130,166)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/t56-,57+,66+,67-,68-,69-,70+,71-,72-,73-,74+,75+,76-,77-,78-,79+,80+,81+,82+,91-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.06E+5	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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