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SMILES: CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2cccnc2)cc1=O

InChI Key: InChIKey=JMKVJYCUXQYRHW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 172892   
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))		BDBM172892
PNG
(US9675593, 701)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2cccnc2)cc1=O
Show InChI InChI=1S/C24H25N5O2/c1-4-31-20-7-8-23(17(2)10-20)29-16-21(19-14-27-28(3)15-19)22(11-24(29)30)26-13-18-6-5-9-25-12-18/h5-12,14-16,26H,4,13H2,1-3H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/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