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BDBM50010445 5,5'-Diisopropyl-3,4,3',4'-tetramethoxy-7,7'-dimethyl-[8,8']bi[naphtho[1,8-bc]furanyl]-2,2'-dione::CHEMBL113834

SMILES: COc1c2C(=O)Oc3c(c(C)cc(c(C(C)C)c1OC)c23)-c1c2OC(=O)c3c(OC)c(OC)c(C(C)C)c(cc1C)c23

InChI Key: InChIKey=AYZDJBYKZLUCRE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010445   
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
Aldose reductase (AR)


(Homo sapiens (Human))		BDBM50010445
PNG
(5,5'-Diisopropyl-3,4,3',4'-tetramethoxy-7,7'-dimet...)
Show SMILES COc1c2C(=O)Oc3c(c(C)cc(c(C(C)C)c1OC)c23)-c1c2OC(=O)c3c(OC)c(OC)c(C(C)C)c(cc1C)c23 |(20.21,-11.35,;18.85,-10.58,;17.54,-11.35,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;20.21,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;1.57,-11.37,;4.26,-12.91,;2.92,-13.69,;1.57,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
Show InChI InChI=1S/C34H34O8/c1-13(2)19-17-11-15(5)21(27-23(17)25(33(35)41-27)31(39-9)29(19)37-7)22-16(6)12-18-20(14(3)4)30(38-8)32(40-10)26-24(18)28(22)42-34(26)36/h11-14H,1-10H3
PDB

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Similars
PubMed
 4.80E+4n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against aldose reductase from human placenta

J Med Chem 34: 3301-5 (1991)


BindingDB Entry DOI: 10.7270/Q2VM4B7C
More data for this
Ligand-Target Pair