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SMILES: CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1cccc2cnn(C)c12

InChI Key: InChIKey=QSAHRARVXJMFLN-QGZVFWFLSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 213390   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Baculoviral IAP repeat-containing protein 2 [256-363]


(Homo sapiens (Human))		BDBM213390
PNG
(US9278978, 25)
Show SMILES CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1cccc2cnn(C)c12 |r|
Show InChI InChI=1S/C29H25ClN6O2/c1-17(31-2)29(38)34-25-15-22(21-7-5-6-20-16-32-36(4)28(20)21)27(30)23(33-25)11-8-18-9-12-24-19(14-18)10-13-26(37)35(24)3/h5-7,9-10,12-17,31H,1-4H3,(H,33,34,38)/t17-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...

US Patent US9278978 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28G4
More data for this
Ligand-Target Pair