BDBM50069091 CHEMBL3403507

SMILES: COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccc(F)cc1

InChI Key: InChIKey=UBRHIGGSOKDXRB-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50069091   

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
Neurotensin receptor 2 (Rattus norvegicus)	BDBM50069091 (CHEMBL3403507) Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccc(F)cc1 |(2.94,7.42,;3.73,6.48,;5.25,6.75,;5.77,8.2,;7.28,8.47,;8.28,7.3,;7.76,5.85,;8.75,4.67,;9.97,4.89,;6.25,5.58,;5.62,4.17,;4.11,3.85,;3.97,2.33,;2.63,1.56,;2.63,.02,;3.7,-.59,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.3,-2.29,;.23,-2.91,;2.36,-2.91,;5.35,1.69,;6.38,2.84,;7.92,2.67,;8.91,3.84,;10.43,3.56,;10.94,2.11,;12.15,1.89,;9.94,.94,;8.43,1.22,)| Show InChI InChI=1S/C25H26FN3O5/c1-33-19-7-6-8-20(34-2)22(19)18-15-21(28-29(18)17-11-9-16(26)10-12-17)27-23(30)25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,31,32)(H,27,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	271	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 [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay				Bioorg Med Chem Lett 25: 2060-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.083 BindingDB Entry DOI: 10.7270/Q2BZ67RD
					More data for this Ligand-Target Pair
Neurotensin receptor 1 (Rattus norvegicus)	BDBM50069091 (CHEMBL3403507) Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccc(F)cc1 |(2.94,7.42,;3.73,6.48,;5.25,6.75,;5.77,8.2,;7.28,8.47,;8.28,7.3,;7.76,5.85,;8.75,4.67,;9.97,4.89,;6.25,5.58,;5.62,4.17,;4.11,3.85,;3.97,2.33,;2.63,1.56,;2.63,.02,;3.7,-.59,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.3,-2.29,;.23,-2.91,;2.36,-2.91,;5.35,1.69,;6.38,2.84,;7.92,2.67,;8.91,3.84,;10.43,3.56,;10.94,2.11,;12.15,1.89,;9.94,.94,;8.43,1.22,)| Show InChI InChI=1S/C25H26FN3O5/c1-33-19-7-6-8-20(34-2)22(19)18-15-21(28-29(18)17-11-9-16(26)10-12-17)27-23(30)25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,31,32)(H,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+4	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 [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay				Bioorg Med Chem Lett 25: 2060-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.083 BindingDB Entry DOI: 10.7270/Q2BZ67RD
					More data for this Ligand-Target Pair
Neurotensin receptor 2 (Rattus norvegicus)	BDBM50069091 (CHEMBL3403507) Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccc(F)cc1 |(2.94,7.42,;3.73,6.48,;5.25,6.75,;5.77,8.2,;7.28,8.47,;8.28,7.3,;7.76,5.85,;8.75,4.67,;9.97,4.89,;6.25,5.58,;5.62,4.17,;4.11,3.85,;3.97,2.33,;2.63,1.56,;2.63,.02,;3.7,-.59,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.3,-2.29,;.23,-2.91,;2.36,-2.91,;5.35,1.69,;6.38,2.84,;7.92,2.67,;8.91,3.84,;10.43,3.56,;10.94,2.11,;12.15,1.89,;9.94,.94,;8.43,1.22,)| Show InChI InChI=1S/C25H26FN3O5/c1-33-19-7-6-8-20(34-2)22(19)18-15-21(28-29(18)17-11-9-16(26)10-12-17)27-23(30)25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,31,32)(H,27,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at rat NTS2 overexpressed in CHO-k1 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 2060-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.083 BindingDB Entry DOI: 10.7270/Q2BZ67RD
					More data for this Ligand-Target Pair