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BDBM354648 (1r,4r)-4-{[(tert-Butoxy)carbonyl]amino}cyclohexyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1,5-dimethyl-1H-pyrrol-2-yl}-7-[(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxylate::US9809574, Example 800

SMILES: C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=RJTHKAVOHUCJON-BEZWTFHHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 354648   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354648
PNG
((1r,4r)-4-{[(tert-Butoxy)carbonyl]amino}cyclohexyl...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H55N5O7/c1-28-22-30-10-8-9-11-32(30)27-51(28)43(54)40-24-33-26-50(45(56)57-37-18-12-34(13-19-37)47-44(55)58-46(3,4)5)21-20-31(33)23-39(40)41-25-38(29(2)48(41)6)42(53)49(7)35-14-16-36(52)17-15-35/h8-11,14-17,23-25,28,34,37,52H,12-13,18-22,26-27H2,1-7H3,(H,47,55)/t28-,34-,37-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair