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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1 [1-149]' and Ligand = 'BDBM218793'   
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-related protein A1 [1-149]


(Homo sapiens (Human))
BDBM218793
PNG
(Ac-PADLKDECAQLRRIGDKVNL-NH2 | NOXA B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C97H167N31O31S/c1-14-49(10)76(94(158)109-43-70(132)112-63(40-72(135)136)89(153)116-54(23-16-18-32-99)84(148)126-75(48(8)9)95(159)124-62(39-69(101)131)88(152)119-59(77(102)141)36-45(2)3)127-85(149)56(25-20-34-108-97(105)106)114-80(144)55(24-19-33-107-96(103)104)117-86(150)60(37-46(4)5)121-82(146)57(27-29-68(100)130)113-78(142)50(11)110-92(156)66(44-160)125-83(147)58(28-30-71(133)134)118-90(154)65(42-74(139)140)123-81(145)53(22-15-17-31-98)115-87(151)61(38-47(6)7)122-91(155)64(41-73(137)138)120-79(143)51(12)111-93(157)67-26-21-35-128(67)52(13)129/h45-51,53-67,75-76,160H,14-44,98-99H2,1-13H3,(H2,100,130)(H2,101,131)(H2,102,141)(H,109,158)(H,110,156)(H,111,157)(H,112,132)(H,113,142)(H,114,144)(H,115,151)(H,116,153)(H,117,150)(H,118,154)(H,119,152)(H,120,143)(H,121,146)(H,122,155)(H,123,145)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H4,103,104,107)(H4,105,106,108)/t49-,50-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,75-,76-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 431n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair