BDBM50019424 CHEMBL3290106

SMILES: COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O

InChI Key: InChIKey=FNMJXTBTWXLVJG-UHFFFAOYSA-N

Data: 2 KI  1 IC50  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 5 hits for monomerid = 50019424   

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)	BDBM50019424 (CHEMBL3290106) Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O Show InChI InChI=1S/C24H24FN3O4/c1-32-21-8-4-3-7-18(21)20-15-19(27-28(20)17-11-9-16(25)10-12-17)22(29)26-24(23(30)31)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting				J Med Chem 57: 5318-32 (2014) Article DOI: 10.1021/jm5003843 BindingDB Entry DOI: 10.7270/Q2PR7XJD
					More data for this Ligand-Target Pair
Neurotensin receptor 1 (Rattus norvegicus)	BDBM50019424 (CHEMBL3290106) Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O Show InChI InChI=1S/C24H24FN3O4/c1-32-21-8-4-3-7-18(21)20-15-19(27-28(20)17-11-9-16(25)10-12-17)22(29)26-24(23(30)31)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)	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)	BDBM50019424 (CHEMBL3290106) Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O Show InChI InChI=1S/C24H24FN3O4/c1-32-21-8-4-3-7-18(21)20-15-19(27-28(20)17-11-9-16(25)10-12-17)22(29)26-24(23(30)31)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Partial agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay relative to SR142948a				J Med Chem 57: 5318-32 (2014) Article DOI: 10.1021/jm5003843 BindingDB Entry DOI: 10.7270/Q2PR7XJD
					More data for this Ligand-Target Pair
Neurotensin receptor 2 (Rattus norvegicus)	BDBM50019424 (CHEMBL3290106) Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O Show InChI InChI=1S/C24H24FN3O4/c1-32-21-8-4-3-7-18(21)20-15-19(27-28(20)17-11-9-16(25)10-12-17)22(29)26-24(23(30)31)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assay				J Med Chem 57: 5318-32 (2014) Article DOI: 10.1021/jm5003843 BindingDB Entry DOI: 10.7270/Q2PR7XJD
					More data for this Ligand-Target Pair
Neurotensin receptor 2 (Rattus norvegicus)	BDBM50019424 (CHEMBL3290106) Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O Show InChI InChI=1S/C24H24FN3O4/c1-32-21-8-4-3-7-18(21)20-15-19(27-28(20)17-11-9-16(25)10-12-17)22(29)26-24(23(30)31)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Partial agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay				J Med Chem 57: 5318-32 (2014) Article DOI: 10.1021/jm5003843 BindingDB Entry DOI: 10.7270/Q2PR7XJD
					More data for this Ligand-Target Pair