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SMILES: CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2ccc(cc2)C#N)cc1=O

InChI Key: InChIKey=DTYWZPKYIYQFTE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 173084   
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))		BDBM173084
PNG
(US9675593, 704)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2ccc(cc2)C#N)cc1=O
Show InChI InChI=1S/C26H25N5O2/c1-4-33-22-9-10-25(18(2)11-22)31-17-23(21-15-29-30(3)16-21)24(12-26(31)32)28-14-20-7-5-19(13-27)6-8-20/h5-12,15-17,28H,4,14H2,1-3H3
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