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Compile Data Set for Download or QSAR

Found 1 hit of kd data for polymerid = 50005731   
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
Voltage-dependent anion-selective channel protein 2


(Homo sapiens (Human))		BDBM50376126
PNG
(ERASTIN)
Show SMILES CCOc1ccccc1-n1c(nc2ccccc2c1=O)C(C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1 |w:20.23,(-5.83,4.76,;-7.16,3.98,;-7.16,2.44,;-8.49,1.67,;-9.83,2.43,;-11.15,1.66,;-11.15,.11,;-9.82,-.66,;-8.48,.12,;-7.14,-.65,;-7.15,-2.2,;-5.83,-2.97,;-4.5,-2.2,;-3.17,-2.98,;-1.83,-2.21,;-1.83,-.67,;-3.16,.1,;-4.49,-.66,;-5.82,.11,;-5.82,1.65,;-8.49,-2.97,;-9.82,-2.19,;-8.5,-4.51,;-9.83,-5.27,;-9.84,-6.8,;-8.51,-7.58,;-7.17,-6.82,;-7.16,-5.27,;-8.53,-9.12,;-9.87,-9.88,;-7.2,-9.9,;-5.86,-9.14,;-4.53,-9.92,;-4.55,-11.46,;-3.22,-12.24,;-1.88,-11.48,;-.55,-12.26,;-1.88,-9.93,;-3.2,-9.16,)|
Show InChI InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3
PDB

KEGG

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MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Department of Biological Sciences, Fairchild Center, 1212 Amsterdam Avenue, MC 2406, New York, New York 10027, USA.

Curated by ChEMBL


Assay Description
Binding affinity to human VDAC2

Nature 447: 864-868 (2007)


Article DOI: 10.1038/nature05859
BindingDB Entry DOI: 10.7270/Q2D50NTP
More data for this
Ligand-Target Pair