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BDBM375191 6-chloro-3-[(1S)-1-{[4-(3,5-dimethyl-1H-::US10253015, Compound I-51

SMILES: C[C@H](Nc1nccc(-c2c(C)n[nH]c2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O

InChI Key:

Data: 1 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 375191   
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))		BDBM375191
PNG
(6-chloro-3-[(1S)-1-{[4-(3,5-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1nccc(-c2c(C)n[nH]c2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r,wD:1.0,(-.52,1.93,;-.52,.38,;.82,-.38,;2.15,.38,;2.15,1.93,;3.48,2.69,;4.82,1.93,;4.82,.38,;6.15,-.38,;7.61,.09,;8.38,1.42,;8.52,-1.15,;7.61,-2.4,;6.15,-1.93,;4.82,-2.69,;3.48,-.38,;3.48,-1.93,;-1.85,-.38,;-3.19,.38,;-4.52,-.38,;-5.85,.38,;-7.19,-.38,;-8.52,.38,;-7.19,-1.93,;-5.85,-2.69,;-4.52,-1.93,;-3.19,-2.69,;-1.85,-1.93,;-.52,-2.69,)|
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair