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SMILES: COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ncc(Cl)cc2N2CCC2=O)nnc1-c1ccco1

InChI Key: InChIKey=AIBBBGDDHJLUFP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 456590   
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))		BDBM456590
PNG
(US10736883, Example 27.0)
Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ncc(Cl)cc2N2CCC2=O)nnc1-c1ccco1 |(-8.13,-.03,;-6.64,-.43,;-5.55,.66,;-5.95,2.15,;-4.86,3.24,;-3.38,2.84,;-2.98,1.35,;-1.49,.95,;-.4,2.04,;-4.07,.26,;-3.56,-1.73,;-2.23,-2.5,;-.89,-1.73,;.44,-2.5,;-.33,-3.83,;1.78,-3.27,;1.21,-1.17,;2.75,-1.17,;3.52,.17,;2.75,1.5,;3.52,2.83,;5.06,2.83,;5.83,4.17,;5.83,1.5,;5.06,.17,;5.83,-1.17,;5.43,-2.65,;6.92,-3.05,;7.32,-1.57,;8.65,-.8,;-2.55,-4.01,;-4.08,-4.17,;-4.7,-2.76,;-6.19,-2.36,;-6.89,-.99,;-8.41,-1.23,;-8.65,-2.75,;-7.28,-3.45,)|
Show InChI InChI=1S/C24H23ClN6O6S/c1-35-18-5-3-6-19(36-2)22(18)31-23(20-7-4-11-37-20)27-28-24(31)29-38(33,34)12-9-16-17(13-15(25)14-26-16)30-10-8-21(30)32/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,28,29)
PDB

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PC cid
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UniChem
US Patent
n/an/an/an/a 0.460n/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