BDBM50027851 CHEMBL3338678

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(N)=O

InChI Key: InChIKey=DYIMTVFKTDCCMM-FXFQUGJNSA-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 = 50027851   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Apelin receptor (Homo sapiens (Human))	BDBM50027851 (CHEMBL3338678) 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(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/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
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