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BDBM50265720 (2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,29S)-32-amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di-sec-butyl-20-(3-guanidinopropyl)-14-isobutyl-26-isopropyl-11-methyl-4,7,10,13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontanamido)-5-(2-amino-2-oxoethyl)-11-(carboxymethyl)-2-(3-guanidinopropyl)-8-(naphthalen-1-ylmethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazahexadecane-1,16-dioic acid::CHEMBL501241

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc2ccccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=WNEHLRGQGBOGTI-YRURNQKXSA-N

Data: 1 EC50

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 = 50265720   
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
Bcl-xL/BAK


(Homo sapiens)
BDBM50265720
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C79H125N25O24/c1-10-39(7)63(75(125)91-36-59(110)95-52(32-60(111)112)72(122)101-53(33-61(113)114)73(123)99-50(30-43-19-14-18-42-17-12-13-20-44(42)43)70(120)100-51(31-56(83)107)71(121)97-48(77(127)128)22-16-28-89-79(86)87)104-76(126)64(40(8)11-2)103-65(115)41(9)92-69(119)49(29-37(3)4)98-67(117)47(24-26-55(82)106)96-66(116)45(21-15-27-88-78(84)85)94-58(109)35-90-74(124)62(38(5)6)102-68(118)46(23-25-54(81)105)93-57(108)34-80/h12-14,17-20,37-41,45-53,62-64H,10-11,15-16,21-36,80H2,1-9H3,(H2,81,105)(H2,82,106)(H2,83,107)(H,90,124)(H,91,125)(H,92,119)(H,93,108)(H,94,109)(H,95,110)(H,96,116)(H,97,121)(H,98,117)(H,99,123)(H,100,120)(H,101,122)(H,102,118)(H,103,115)(H,104,126)(H,111,112)(H,113,114)(H,127,128)(H4,84,85,88)(H4,86,87,89)/t39-,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,62-,63-,64-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 77n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)

More data for this
Ligand-Target Pair