BindingDB logo
myBDB logout

BDBM50014631 CHEMBL3261779

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

InChI Key: InChIKey=QRLPKAMGOKXIBJ-HYOFVNDGNA-N

Data: 1 EC50

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 = 50014631   
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))
BDBM50014631
PNG
(CHEMBL3261779)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1/C48H88N18O11/c1-25(2)22-34(38(50)69)64-46(77)36-17-13-21-66(36)37(68)24-57-42(73)31(14-9-10-18-49)62-40(71)28(6)58-39(70)27(5)60-45(76)35(23-26(3)4)65-44(75)33(16-12-20-56-48(53)54)63-41(72)29(7)59-43(74)32(61-30(8)67)15-11-19-55-47(51)52/h25-29,31-36H,9-24,49H2,1-8H3,(H2,50,69)(H,57,73)(H,58,70)(H,59,74)(H,60,76)(H,61,67)(H,62,71)(H,63,72)(H,64,77)(H,65,75)(H4,51,52,55)(H4,53,54,56)/t27-,28-,29-,31-,32-,33-,34-,35-,36-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)


Article DOI: 10.1016/j.bmc.2014.04.001
BindingDB Entry DOI: 10.7270/Q25H7HTZ
More data for this
Ligand-Target Pair