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SMILES: CN1CCN(CC1)c1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(C)c(c1)-n1cc(C)n2nc(cc12)-c1cn[nH]c1

InChI Key: InChIKey=BXGIHNHOBDVBRU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239558   
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
Angiopoietin-1 receptor [776-1124]


(Homo sapiens (Human))		BDBM239558
PNG
(US9394309, 11)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(C)c(c1)-n1cc(C)n2nc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C28H29F5N8OS/c1-18-4-5-22(12-26(18)40-17-19(2)41-27(40)14-25(37-41)21-15-34-35-16-21)36-28(42)20-10-23(39-8-6-38(3)7-9-39)13-24(11-20)43(29,30,31,32)33/h4-5,10-17H,6-9H2,1-3H3,(H,34,35)(H,36,42)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft; Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...

US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair