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SMILES: COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(F)cn2)nnc1-c1ccco1

InChI Key: InChIKey=LGAWFPBGSPUXPS-AWEZNQCLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 456588   
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
Apelin receptor


(Homo sapiens (Human))		BDBM456588
PNG
(US10736883, Example 25.0)
Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(F)cn2)nnc1-c1ccco1 |r,wU:16.17,(-6.08,-5.5,;-4.59,-5.9,;-3.51,-4.81,;-3.9,-3.32,;-2.82,-2.23,;-1.33,-2.63,;-.93,-4.12,;.56,-4.52,;1.65,-3.43,;-2.02,-5.21,;-1.51,-7.2,;-.18,-7.97,;1.16,-7.2,;2.49,-7.97,;1.72,-9.3,;3.82,-8.74,;3.26,-6.64,;2.49,-5.3,;4.8,-6.64,;5.57,-5.3,;7.11,-5.3,;7.88,-3.97,;7.11,-2.63,;7.88,-1.3,;5.57,-2.63,;4.8,-3.97,;-.5,-9.48,;-2.03,-9.64,;-2.66,-8.23,;-4.14,-7.83,;-4.84,-6.46,;-6.36,-6.7,;-6.6,-8.22,;-5.23,-8.92,)|
Show InChI InChI=1S/C22H22FN5O5S/c1-14(12-16-10-9-15(23)13-24-16)34(29,30)27-22-26-25-21(19-8-5-11-33-19)28(22)20-17(31-2)6-4-7-18(20)32-3/h4-11,13-14H,12H2,1-3H3,(H,26,27)/t14-/m0/s1
PDB

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PC cid
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US Patent
n/an/an/an/a 0.370n/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...

US Patent US10736883 (2020)


BindingDB Entry DOI: 10.7270/Q2JW8HXW
More data for this
Ligand-Target Pair