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BDBM50027854 CHEMBL3338700

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(N)=O

InChI Key: InChIKey=NYPFBCRQZYCEKF-CUXWTHHISA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027854   
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))		BDBM50027854
PNG
(CHEMBL3338700)
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(N)=O |r|
Show InChI InChI=1S/C101H151N19O23/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-81(127)116-83(58(6)7)96(139)119-86(62(11)123)99(142)115-79(49-57(4)5)100(143)120-47-28-32-80(120)95(138)112-74(48-56(2)3)91(134)110-77(53-66-55-106-71-30-26-25-29-70(66)71)90(133)107-59(8)88(131)117-84(60(9)121)97(140)114-76(52-65-38-44-69(126)45-39-65)94(137)118-85(61(10)122)98(141)113-75(51-64-36-42-68(125)43-37-64)92(135)108-72(31-27-46-105-101(103)104)89(132)111-78(54-82(128)129)93(136)109-73(87(102)130)50-63-34-40-67(124)41-35-63/h25-26,29-30,34-45,55-62,72-80,83-86,106,121-126H,12-24,27-28,31-33,46-54H2,1-11H3,(H2,102,130)(H,107,133)(H,108,135)(H,109,136)(H,110,134)(H,111,132)(H,112,138)(H,113,141)(H,114,140)(H,115,142)(H,116,127)(H,117,131)(H,118,137)(H,119,139)(H,128,129)(H4,103,104,105)/t59-,60+,61+,62+,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-,85-,86-/m0/s1
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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