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BDBM172514 US9675593, 552

SMILES: CCOc1ccc(c(C)c1)-n1cc(c(C)cc1=O)-c1ccc2scnc2c1

InChI Key: InChIKey=XPBJHTALCUYASS-UHFFFAOYSA-N

Data: 1 EC50

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 = 172514   
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
Endothelin-1


(Homo sapiens (Human))
BDBM172514
PNG
(US9675593, 552)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(c(C)cc1=O)-c1ccc2scnc2c1
Show InChI InChI=1S/C22H20N2O2S/c1-4-26-17-6-7-20(15(3)9-17)24-12-18(14(2)10-22(24)25)16-5-8-21-19(11-16)23-13-27-21/h5-13H,4H2,1-3H3
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair