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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 1/2' and Ligand = 'BDBM50214156'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-X-C chemokine receptor type 1/2


(Homo sapiens (Human))
BDBM50214156
PNG
(CHEMBL414166)
Show SMILES CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)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)N[C@@H]([C@@H](C)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/C111H150N24O36S2/c1-55(2)42-70(123-103(163)78(50-89(148)149)130-105(165)79(51-90(150)151)129-99(159)71(43-60-20-11-9-12-21-60)121-93(153)56(3)116-97(157)74(46-63-52-114-66-25-16-15-24-65(63)66)126-96(156)68(35-40-172-7)118-59(6)138)98(158)127-75(47-84(112)140)101(161)125-73(44-61-22-13-10-14-23-61)106(166)132-91(58(5)137)108(168)115-53-85(141)119-69(36-41-173-8)109(169)135-39-19-28-83(135)111(171)134-38-18-27-82(134)107(167)117-57(4)94(154)122-76(48-87(144)145)102(162)120-67(33-34-86(142)143)95(155)128-77(49-88(146)147)104(164)124-72(45-62-29-31-64(139)32-30-62)100(160)131-80(54-136)110(170)133-37-17-26-81(133)92(113)152/h9-16,20-25,29-32,52,55-58,67-83,91,114,136-137,139H,17-19,26-28,33-51,53-54H2,1-8H3,(H2,112,140)(H2,113,152)(H,115,168)(H,116,157)(H,117,167)(H,118,138)(H,119,141)(H,120,162)(H,121,153)(H,122,154)(H,123,163)(H,124,164)(H,125,161)(H,126,156)(H,127,158)(H,128,155)(H,129,159)(H,130,165)(H,131,160)(H,132,166)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/t56-,57-,58+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,91-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

2.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against interleukin-8 receptor using [125I]IL8


Citation and Details

BindingDB Entry DOI: 10.7270/Q2P55QP3
More data for this
Ligand-Target Pair