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SMILES: CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2CC=C2C3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O

InChI Key: InChIKey=JTBGJQZJEYVBJZ-FQJCHIKFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50487931   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50487931
PNG
(CHEMBL2261316)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2CC=C2C3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18|
Show InChI InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20?,21?,22-,23+,26-,27+,28-,29+,30+/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
n/an/a 5.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Rattus norvegicus (rat) lens aldose reductase

Citation and Details

Article DOI: 10.1007/s00044-011-9681-6
BindingDB Entry DOI: 10.7270/Q2J1061V
More data for this
Ligand-Target Pair