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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM218791'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM218791
PNG
(Ac-CATQLRRFGDKLN-NH2 | hNOXAs)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C66H111N23O19S/c1-32(2)25-43(87-59(103)41(20-21-48(68)92)84-64(108)52(35(6)90)89-54(98)34(5)78-63(107)47(31-109)79-36(7)91)60(104)83-39(18-13-23-75-65(71)72)56(100)81-40(19-14-24-76-66(73)74)58(102)88-45(27-37-15-9-8-10-16-37)55(99)77-30-50(94)80-46(29-51(95)96)62(106)82-38(17-11-12-22-67)57(101)86-44(26-33(3)4)61(105)85-42(53(70)97)28-49(69)93/h8-10,15-16,32-35,38-47,52,90,109H,11-14,17-31,67H2,1-7H3,(H2,68,92)(H2,69,93)(H2,70,97)(H,77,99)(H,78,107)(H,79,91)(H,80,94)(H,81,100)(H,82,106)(H,83,104)(H,84,108)(H,85,105)(H,86,101)(H,87,103)(H,88,102)(H,89,98)(H,95,96)(H4,71,72,75)(H4,73,74,76)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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