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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 = 'BDBM50136340'   
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))		BDBM50136340
PNG
(CHEMBL3752470)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C70H122N18O19S/c1-13-37(4)53(85-70(107)57(43(10)92)88-69(106)55(41(8)90)78-44(11)93)67(104)75-35-52(94)79-49(28-32-108-12)62(99)80-48(27-19-22-31-73)64(101)87-56(42(9)91)68(105)84-50(33-36(2)3)65(102)81-46(25-17-20-29-71)61(98)77-38(5)59(96)76-39(6)60(97)83-51(34-45-23-15-14-16-24-45)66(103)82-47(26-18-21-30-72)63(100)86-54(40(7)89)58(74)95/h14-16,23-24,36-43,46-51,53-57,89-92H,13,17-22,25-35,71-73H2,1-12H3,(H2,74,95)(H,75,104)(H,76,96)(H,77,98)(H,78,93)(H,79,94)(H,80,99)(H,81,102)(H,82,103)(H,83,97)(H,84,105)(H,85,107)(H,86,100)(H,87,101)(H,88,106)/t37-,38-,39-,40+,41+,42+,43+,46-,47-,48-,49-,50-,51-,53-,54-,55-,56-,57-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding 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