BindingDB logo
myBDB logout

null

SMILES: CCN(CC)C(=O)c1cc(Cl)cnc1C[C@H](C)S(=O)(=O)Nc1nnc(-c2ccco2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=GRBUFQRTOJVPPF-KRWDZBQOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 456584   
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))		BDBM456584
PNG
(US10736883, Example 21.0)
Show SMILES CCN(CC)C(=O)c1cc(Cl)cnc1C[C@H](C)S(=O)(=O)Nc1nnc(-c2ccco2)n1-c1c(OC)cccc1OC |r,wU:15.16,(3.87,-8.47,;4.64,-7.13,;6.18,-7.13,;6.95,-8.47,;6.18,-9.8,;6.95,-5.8,;8.49,-5.8,;6.18,-4.47,;6.95,-3.13,;6.18,-1.8,;6.95,-.47,;4.64,-1.8,;3.87,-3.13,;4.64,-4.47,;3.87,-5.8,;2.33,-5.8,;1.56,-4.47,;1.56,-7.13,;2.89,-7.9,;.79,-8.47,;.22,-6.36,;-1.11,-7.13,;-1.11,-8.67,;-2.57,-9.15,;-3.48,-7.9,;-4.97,-7.51,;-5.87,-6.26,;-7.34,-6.74,;-7.34,-8.28,;-5.87,-8.75,;-2.57,-6.66,;-2.97,-5.17,;-1.88,-4.08,;-.4,-4.48,;.69,-3.39,;-2.28,-2.6,;-3.77,-2.2,;-4.86,-3.29,;-4.46,-4.77,;-5.55,-5.86,;-7.04,-5.46,)|
Show InChI InChI=1S/C27H31ClN6O6S/c1-6-33(7-2)26(35)19-15-18(28)16-29-20(19)14-17(3)41(36,37)32-27-31-30-25(23-12-9-13-40-23)34(27)24-21(38-4)10-8-11-22(24)39-5/h8-13,15-17H,6-7,14H2,1-5H3,(H,31,32)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.310n/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