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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C3' and Ligand = 'BDBM264496'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aldo-keto reductase family 1 member C3


(Homo sapiens (Human))		BDBM264496
PNG
(N-[2-(N-methylsulphamoyl)ethyl]-17-[5-(trifluorome...)
Show SMILES CNS(=O)(=O)CCNC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(c4)C(F)(F)F)[C@@H]3CCc2c1 |r,c:21|
Show InChI InChI=1S/C28H32F3N3O3S/c1-27-10-9-22-21-5-4-18(26(35)34-11-12-38(36,37)32-2)13-17(21)3-6-23(22)25(27)8-7-24(27)19-14-20(16-33-15-19)28(29,30)31/h4-5,7,13-16,22-23,25,32H,3,6,8-12H2,1-2H3,(H,34,35)/t22-,23-,25+,27-/m1/s1
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KEGG

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US Patent
n/an/a 48n/an/an/an/a7.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtitre plat...

US Patent US9714266 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6V7W
More data for this
Ligand-Target Pair