BDBM50183343 CHEMBL3818506

SMILES: COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1

InChI Key: InChIKey=VHQDBWUQVXLXFT-HXUWFJFHSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50183343   

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))	BDBM50183343 (CHEMBL3818506) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1 |r,wD:25.32,(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,;7.09,-6.36,;6.59,-5.24,;8.31,-6.49,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)| Show InChI InChI=1S/C27H30FN3O5/c1-35-23-9-6-10-24(36-2)26(23)22-15-21(30-31(22)19-13-11-18(28)12-14-19)27(34)29-20(16-25(32)33)17-7-4-3-5-8-17/h6,9-15,17,20H,3-5,7-8,16H2,1-2H3,(H,29,34)(H,32,33)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	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))	BDBM50183343 (CHEMBL3818506) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1 |r,wD:25.32,(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,;7.09,-6.36,;6.59,-5.24,;8.31,-6.49,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)| Show InChI InChI=1S/C27H30FN3O5/c1-35-23-9-6-10-24(36-2)26(23)22-15-21(30-31(22)19-13-11-18(28)12-14-19)27(34)29-20(16-25(32)33)17-7-4-3-5-8-17/h6,9-15,17,20H,3-5,7-8,16H2,1-2H3,(H,29,34)(H,32,33)/t20-/m1/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	9.90E+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
Neurotensin receptor 2 (Rattus norvegicus)	BDBM50183343 (CHEMBL3818506) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1 |r,wD:25.32,(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,;7.09,-6.36,;6.59,-5.24,;8.31,-6.49,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)| Show InChI InChI=1S/C27H30FN3O5/c1-35-23-9-6-10-24(36-2)26(23)22-15-21(30-31(22)19-13-11-18(28)12-14-19)27(34)29-20(16-25(32)33)17-7-4-3-5-8-17/h6,9-15,17,20H,3-5,7-8,16H2,1-2H3,(H,29,34)(H,32,33)/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	345	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Partial agonist activity at rat NTS2 receptor expressed in CHOK1 cells 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