BindingDB logo
myBDB logout

null

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NCCS(N)(=O)=O)[C@@H]1CC=C2c1cncnc1

InChI Key: InChIKey=FCIRGZUGDBOUQR-NTNMUZRVSA-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 = 264517   
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))		BDBM264517
PNG
(17-(pyrimidin-5-yl)-N-(2-sulphamoylethyl)oestra-1,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NCCS(N)(=O)=O)[C@@H]1CC=C2c1cncnc1 |r,c:28|
Show InChI InChI=1S/C25H30N4O3S/c1-25-9-8-20-19-4-3-17(24(30)29-10-11-33(26,31)32)12-16(19)2-5-21(20)23(25)7-6-22(25)18-13-27-15-28-14-18/h3-4,6,12-15,20-21,23H,2,5,7-11H2,1H3,(H,29,30)(H2,26,31,32)/t20-,21-,23+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 119n/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