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BDBM50265689 (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-26-butyl-20-(3-guanidinopropyl)-14-isobutyl-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)-8-sec-butyl-11-(carboxymethyl)-2-(3-guanidinopropyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazahexadecane-1,16-dioic acid::CHEMBL506389

SMILES: [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#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@@H](-[#6])-[#6]-[#6])-[#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=YHJXBQFINLQCNY-HEJXGPJTSA-N

Data: 2 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 2 hits for monomerid = 50265689   
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
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50265689
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([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]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C73H127N25O24/c1-11-15-18-39(90-62(112)41(21-23-48(75)99)87-51(102)31-74)60(110)84-32-52(103)88-40(19-16-25-82-72(78)79)61(111)91-42(22-24-49(76)100)63(113)93-44(27-34(5)6)64(114)86-38(10)59(109)96-58(37(9)14-4)70(120)98-56(35(7)12-2)68(118)85-33-53(104)89-46(29-54(105)106)66(116)94-47(30-55(107)108)67(117)97-57(36(8)13-3)69(119)95-45(28-50(77)101)65(115)92-43(71(121)122)20-17-26-83-73(80)81/h34-47,56-58H,11-33,74H2,1-10H3,(H2,75,99)(H2,76,100)(H2,77,101)(H,84,110)(H,85,118)(H,86,114)(H,87,102)(H,88,103)(H,89,104)(H,90,112)(H,91,111)(H,92,115)(H,93,113)(H,94,116)(H,95,119)(H,96,109)(H,97,117)(H,98,120)(H,105,106)(H,107,108)(H,121,122)(H4,78,79,82)(H4,80,81,83)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,56-,57-,58-/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 757n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-2 (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
Bcl-2-like protein 1


(Homo sapiens)
BDBM50265689
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([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]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C73H127N25O24/c1-11-15-18-39(90-62(112)41(21-23-48(75)99)87-51(102)31-74)60(110)84-32-52(103)88-40(19-16-25-82-72(78)79)61(111)91-42(22-24-49(76)100)63(113)93-44(27-34(5)6)64(114)86-38(10)59(109)96-58(37(9)14-4)70(120)98-56(35(7)12-2)68(118)85-33-53(104)89-46(29-54(105)106)66(116)94-47(30-55(107)108)67(117)97-57(36(8)13-3)69(119)95-45(28-50(77)101)65(115)92-43(71(121)122)20-17-26-83-73(80)81/h34-47,56-58H,11-33,74H2,1-10H3,(H2,75,99)(H2,76,100)(H2,77,101)(H,84,110)(H,85,118)(H,86,114)(H,87,102)(H,88,103)(H,89,104)(H,90,112)(H,91,111)(H,92,115)(H,93,113)(H,94,116)(H,95,119)(H,96,109)(H,97,117)(H,98,120)(H,105,106)(H,107,108)(H,121,122)(H4,78,79,82)(H4,80,81,83)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,56-,57-,58-/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 71n/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