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BDBM50027850 CHEMBL3338679

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)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(N)=O

InChI Key: InChIKey=VVLWFNAOLOSWTC-ADEHJZBQSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027850   
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))		BDBM50027850
PNG
(CHEMBL3338679)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)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(N)=O |r|
Show InChI InChI=1S/C74H109N17O18/c1-36(2)30-52(84-68(104)57-19-15-29-91(57)73(109)56(31-37(3)4)87-72(108)61(42(10)94)90-69(105)58(38(5)6)81-43(11)95)65(101)83-55(34-46-35-79-50-17-13-12-16-49(46)50)64(100)80-39(7)63(99)88-59(40(8)92)70(106)86-54(33-45-22-26-48(97)27-23-45)67(103)89-60(41(9)93)71(107)85-53(32-44-20-24-47(96)25-21-44)66(102)82-51(62(75)98)18-14-28-78-74(76)77/h12-13,16-17,20-27,35-42,51-61,79,92-94,96-97H,14-15,18-19,28-34H2,1-11H3,(H2,75,98)(H,80,100)(H,81,95)(H,82,102)(H,83,101)(H,84,104)(H,85,107)(H,86,106)(H,87,108)(H,88,99)(H,89,103)(H,90,105)(H4,76,77,78)/t39-,40+,41+,42+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/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