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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50436625'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50436625
PNG
(CHEMBL2398169)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C149H242N48O46S/c1-14-72(8)112(136(235)170-68-105(204)173-98(67-111(215)216)132(231)178-87(46-51-107(207)208)123(222)187-94(63-78-29-18-17-19-30-78)130(229)188-96(65-103(151)202)131(230)179-88(47-52-108(209)210)127(226)194-116(77(13)199)140(239)189-95(64-79-40-42-80(200)43-41-79)134(233)195-115(76(12)198)139(238)182-82(32-23-55-165-144(154)155)120(219)184-91(142(241)242)36-27-59-169-148(162)163)191-124(223)83(33-24-56-166-145(156)157)175-119(218)81(31-22-54-164-143(152)153)176-128(227)92(61-70(4)5)185-122(221)86(45-50-106(205)206)177-121(220)85(44-49-102(150)201)174-118(217)75(11)171-137(236)113(73(9)15-2)192-125(224)84(34-25-57-167-146(158)159)181-138(237)114(74(10)16-3)193-126(225)89(48-53-109(211)212)180-135(234)100-37-28-60-197(100)141(240)90(35-26-58-168-147(160)161)183-129(228)93(62-71(6)7)186-133(232)97(66-110(213)214)172-104(203)39-21-20-38-101-117-99(69-244-101)190-149(243)196-117/h17-19,29-30,40-43,70-77,81-101,112-117,198-200H,14-16,20-28,31-39,44-69H2,1-13H3,(H2,150,201)(H2,151,202)(H,170,235)(H,171,236)(H,172,203)(H,173,204)(H,174,217)(H,175,218)(H,176,227)(H,177,220)(H,178,231)(H,179,230)(H,180,234)(H,181,237)(H,182,238)(H,183,228)(H,184,219)(H,185,221)(H,186,232)(H,187,222)(H,188,229)(H,189,239)(H,191,223)(H,192,224)(H,193,225)(H,194,226)(H,195,233)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,241,242)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)(H4,162,163,169)(H2,190,196,243)/t72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,112-,113-,114-,115-,116-,117-/m0/s1
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/a 0.140n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair