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1 similar compounds to monomer 50235981

Compile data set for download or QSAR
Wt: 1740.8
BDBM50265725

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265725   
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-2-like protein 1


(Homo sapiens (Human))
BDBM50265725
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](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C71H121N25O26/c1-10-33(7)55(67(119)83-30-50(102)87-43(26-52(105)106)64(116)93-44(27-53(107)108)65(117)89-39(18-21-51(103)104)60(112)92-42(25-47(75)99)63(115)90-40(69(121)122)15-13-23-81-71(78)79)96-68(120)56(34(8)11-2)95-57(109)35(9)84-62(114)41(24-31(3)4)91-59(111)38(17-20-46(74)98)88-58(110)36(14-12-22-80-70(76)77)86-49(101)29-82-66(118)54(32(5)6)94-61(113)37(16-19-45(73)97)85-48(100)28-72/h31-44,54-56H,10-30,72H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H,82,118)(H,83,119)(H,84,114)(H,85,100)(H,86,101)(H,87,102)(H,88,110)(H,89,117)(H,90,115)(H,91,111)(H,92,112)(H,93,116)(H,94,113)(H,95,109)(H,96,120)(H,103,104)(H,105,106)(H,107,108)(H,121,122)(H4,76,77,80)(H4,78,79,81)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,54-,55-,56-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair