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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)NCC(=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=KNTSGVVOWPFXEO-ULIICJGPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291123   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Interleukin-8


(Homo sapiens (Human))		BDBM50291123
PNG
(CHEMBL3856132 | CHEMBL410211 | 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)NCC(=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
Show InChI InChI=1S/C89H117N19O32S2/c1-44(75(126)97-59(37-70(117)118)82(133)96-52(24-25-68(113)114)77(128)102-60(38-71(119)120)83(134)99-56(34-47-20-22-49(111)23-21-47)80(131)105-63(43-109)88(139)106-28-10-17-64(106)74(90)125)93-86(137)65-18-11-29-107(65)89(140)66-19-12-30-108(66)87(138)54(27-32-142-4)95-67(112)42-92-76(127)58(36-69(115)116)101-85(136)62(40-73(123)124)103-79(130)55(33-46-13-6-5-7-14-46)98-84(135)61(39-72(121)122)104-81(132)57(35-48-41-91-51-16-9-8-15-50(48)51)100-78(129)53(26-31-141-3)94-45(2)110/h5-9,13-16,20-23,41,44,52-66,91,109,111H,10-12,17-19,24-40,42-43H2,1-4H3,(H2,90,125)(H,92,127)(H,93,137)(H,94,110)(H,95,112)(H,96,133)(H,97,126)(H,98,135)(H,99,134)(H,100,129)(H,101,136)(H,102,128)(H,103,130)(H,104,132)(H,105,131)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/t44-,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
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UniChem

Similars
Article
 3.10E+4n/an/an/an/an/an/an/an/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