BDBM50183344 CHEMBL3818101

SMILES: COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)CC(O)=O

InChI Key: InChIKey=TUNZYSMSTFSVDK-KRWDZBQOSA-N

Data: 1 KI  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 2 hits for monomerid = 50183344   

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))	BDBM50183344 (CHEMBL3818101) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)CC(O)=O |r,wU:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.8,-9.02,;8.02,-9.16,;6.07,-10.02,;3.74,-8.69,;4.36,-10.1,;5.58,-10.23,;3.63,-11.09,)| Show InChI InChI=1S/C25H28FN3O5/c1-15(2)12-17(13-23(30)31)27-25(32)19-14-20(24-21(33-3)6-5-7-22(24)34-4)29(28-19)18-10-8-16(26)9-11-18/h5-11,14-15,17H,12-13H2,1-4H3,(H,27,32)(H,30,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [125I]-apelin13 from human APJ receptor expressed in CHOK1 cell membranes after 2 hrs by scintillation counting				Bioorg Med Chem 24: 3758-70 (2016) BindingDB Entry DOI: 10.7270/Q2MS3VPK
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50183344 (CHEMBL3818101) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)CC(O)=O |r,wU:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.8,-9.02,;8.02,-9.16,;6.07,-10.02,;3.74,-8.69,;4.36,-10.1,;5.58,-10.23,;3.63,-11.09,)| Show InChI InChI=1S/C25H28FN3O5/c1-15(2)12-17(13-23(30)31)27-25(32)19-14-20(24-21(33-3)6-5-7-22(24)34-4)29(28-19)18-10-8-16(26)9-11-18/h5-11,14-15,17H,12-13H2,1-4H3,(H,27,32)(H,30,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem 24: 3758-70 (2016) BindingDB Entry DOI: 10.7270/Q2MS3VPK
					More data for this Ligand-Target Pair