BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)[C@]1([H])c3ccc(OC(C)=O)cc3CC[C@@]21[H]

InChI Key: InChIKey=WLWVQTWOYOZNBO-XUJOWKJQSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 264475   
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 C3


(Homo sapiens (Human))		BDBM264475
PNG
(17-oxooestra-1,3,5(10)-triene-3,11a-diyl diacetate...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)[C@]1([H])c3ccc(OC(C)=O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-17-18-8-9-20(25)22(18,3)11-19(21(16)17)27-13(2)24/h5,7,10,17-19,21H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,21+,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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