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BDBM287840 6-{[(1r,4s)-4- methoxytricyclo[3.3.1.1~3,7~] dec-1-yl]carbonyl}-8- morpholin-4-yl-6,11- dihydro-5H-pyrido[2,3- b][1,5]benzodiazepine::US10086000, Example 57

SMILES: CO[C@H]1C2CC3CC1C[C@](C3)(C2)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1

InChI Key: InChIKey=KIYGAKICNZWUBX-RMMVLUAENA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287840   
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
IDH1 R132H


(Homo sapiens (Human))
BDBM287840
PNG
(6-{[(1r,4s)-4- methoxytricyclo[3.3.1.1~3,7~] dec-1...)
Show SMILES CO[C@H]1C2CC3CC1C[C@](C3)(C2)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1
Show InChI InChI=1/C28H34N4O3/c1-34-25-20-11-18-12-21(25)16-28(14-18,15-20)27(33)32-17-19-3-2-6-29-26(19)30-23-5-4-22(13-24(23)32)31-7-9-35-10-8-31/h2-6,13,18,20-21,25H,7-12,14-17H2,1H3,(H,29,30)/t18?,20?,21?,25-,28-
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 424n/an/an/an/a7.025



Merck Sharp & Dohme Corp

US Patent


Assay Description
Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...


US Patent US10086000 (2018)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2N58PCG
More data for this
Ligand-Target Pair