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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomeric repeat-binding factor 2-interacting protein 1' and Ligand = 'BDBM50136337'   
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
Telomeric repeat-binding factor 2-interacting protein 1


(Homo sapiens (Human))
BDBM50136337
PNG
(CHEMBL3752164)
Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCCC(=O)NCCC(=O)NC(CCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c3ccc(O)cc3oc3cc(=O)ccc13)C(N)=O)nn2
Show InChI InChI=1S/C118H168N26O30S2/c1-63(2)52-86(112(166)139-91(62-145)105(159)124-48-40-94(152)122-47-41-95(153)128-80(101(121)155)30-20-24-46-123-103(157)72-34-37-76(118(172)173)79(56-72)97-77-38-35-74(150)58-92(77)174-93-59-75(151)36-39-78(93)97)135-114(168)90-57-73-61-144(143-142-73)49-25-21-33-81(106(160)126-65(5)102(156)134-89(55-71-28-16-13-17-29-71)113(167)132-83(108(162)136-90)32-19-23-45-120)130-107(161)82(31-18-22-44-119)131-111(165)87(53-64(3)4)137-115(169)99(67(7)147)140-110(164)85(43-51-176-11)133-109(163)84(42-50-175-10)129-96(154)60-125-104(158)88(54-70-26-14-12-15-27-70)138-116(170)100(68(8)148)141-117(171)98(66(6)146)127-69(9)149/h12-17,26-29,34-39,56,58-59,61,63-68,80-91,98-100,145-148,150H,18-25,30-33,40-55,57,60,62,119-120H2,1-11H3,(H2,121,155)(H,122,152)(H,123,157)(H,124,159)(H,125,158)(H,126,160)(H,127,149)(H,128,153)(H,129,154)(H,130,161)(H,131,165)(H,132,167)(H,133,163)(H,134,156)(H,135,168)(H,136,162)(H,137,169)(H,138,170)(H,139,166)(H,140,164)(H,141,171)(H,172,173)/t65-,66+,67+,68+,80?,81?,82-,83-,84-,85-,86-,87-,88-,89-,90+,91?,98-,99-,100-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 11n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay


J Med Chem 59: 328-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D
More data for this
Ligand-Target Pair