BDBM50291128 CHEMBL267749::CHEMBL3856129::Interleukin-8 inhibitor, 7

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)NCCCCC(=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

InChI Key: InChIKey=WZFKAZVQVXJLIG-YDBMKBPOSA-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 = 50291128   

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))	BDBM50291128 (CHEMBL267749 | CHEMBL3856129 | 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)NCCCCC(=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/C111H149N23O36S2/c1-57(2)44-70(121-104(163)78(52-90(146)147)130-107(166)80(54-92(150)151)128-99(158)72(46-61-22-11-8-12-23-61)123-106(165)79(53-91(148)149)129-101(160)74(48-63-55-115-66-25-14-13-24-65(63)66)125-97(156)68(36-42-171-5)117-59(4)136)98(157)126-75(49-85(112)138)102(161)122-71(45-60-20-9-7-10-21-60)95(154)114-38-16-15-29-86(139)118-69(37-43-172-6)109(168)134-41-19-28-84(134)111(170)133-40-18-27-83(133)108(167)116-58(3)94(153)120-76(50-88(142)143)103(162)119-67(34-35-87(140)141)96(155)127-77(51-89(144)145)105(164)124-73(47-62-30-32-64(137)33-31-62)100(159)131-81(56-135)110(169)132-39-17-26-82(132)93(113)152/h7-14,20-25,30-33,55,57-58,67-84,115,135,137H,15-19,26-29,34-54,56H2,1-6H3,(H2,112,138)(H2,113,152)(H,114,154)(H,116,167)(H,117,136)(H,118,139)(H,119,162)(H,120,153)(H,121,163)(H,122,161)(H,123,165)(H,124,164)(H,125,156)(H,126,157)(H,127,155)(H,128,158)(H,129,160)(H,130,166)(H,131,159)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/t58-,67+,68-,69+,70-,71-,72-,73+,74-,75-,76+,77+,78-,79-,80-,81+,82+,83+,84+/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	1.30E+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
					More data for this Ligand-Target Pair