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BDBM50236460 CHEMBL4084510

SMILES: Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(O[C@@H]2CC[C@H](N)CC2)cc1

InChI Key: InChIKey=VQDWAJLSYJGIDH-TYKWCNGQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50236460   
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
LSD1/CoREST complex


(Homo sapiens (Human))		BDBM50236460
PNG
(CHEMBL4084510)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(O[C@@H]2CC[C@H](N)CC2)cc1 |r,wU:25.27,28.31,(14.53,-17.47,;14.07,-18.95,;14.98,-20.18,;14.08,-21.43,;12.62,-20.96,;11.16,-21.45,;10.24,-20.21,;11.14,-18.95,;12.6,-19.42,;16.52,-20.17,;17.3,-21.5,;17.29,-18.83,;18.83,-18.83,;19.6,-20.16,;21.14,-20.15,;21.91,-18.81,;21.13,-17.48,;19.59,-17.49,;18.81,-16.16,;19.57,-14.82,;21.11,-14.81,;21.88,-13.48,;23.42,-13.47,;24.19,-14.8,;25.73,-14.79,;26.5,-13.45,;28.04,-13.44,;28.8,-12.1,;28.02,-10.77,;28.78,-9.43,;26.48,-10.78,;25.72,-12.12,;23.43,-16.13,;21.89,-16.14,)|
Show InChI InChI=1S/C27H29N3O3S/c1-30-24-14-15-34-26(24)16-25(30)27(31)29-23-5-3-2-4-18(23)17-32-20-10-12-22(13-11-20)33-21-8-6-19(28)7-9-21/h2-5,10-16,19,21H,6-9,17,28H2,1H3,(H,29,31)/t19-,21+
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Article
PubMed
n/an/a 121n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...

J Med Chem 60: 1693-1715 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX
More data for this
Ligand-Target Pair