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BDBM50027853 CHEMBL3338701

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O

InChI Key: InChIKey=GZOUCZAEVWWSFE-FEOQFAROSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027853   
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))		BDBM50027853
PNG
(CHEMBL3338701)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C105H156N20O26/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-83(132)121-86(59(6)7)100(147)124-89(63(11)128)103(150)120-81(49-58(4)5)104(151)125-47-28-32-82(125)99(146)117-75(48-57(2)3)94(141)115-79(53-67-56-110-72-30-26-25-29-71(67)72)93(140)111-60(8)91(138)122-87(61(9)126)101(148)119-78(52-66-38-44-70(131)45-39-66)98(145)123-88(62(10)127)102(149)118-77(51-65-36-42-69(130)43-37-65)95(142)112-73(31-27-46-109-105(107)108)92(139)116-80(55-85(135)136)97(144)114-76(50-64-34-40-68(129)41-35-64)96(143)113-74(90(106)137)54-84(133)134/h25-26,29-30,34-45,56-63,73-82,86-89,110,126-131H,12-24,27-28,31-33,46-55H2,1-11H3,(H2,106,137)(H,111,140)(H,112,142)(H,113,143)(H,114,144)(H,115,141)(H,116,139)(H,117,146)(H,118,149)(H,119,148)(H,120,150)(H,121,132)(H,122,138)(H,123,145)(H,124,147)(H,133,134)(H,135,136)(H4,107,108,109)/t60-,61+,62+,63+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-,89-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...

Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair