BDBM50019420 CHEMBL3290104

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

InChI Key: InChIKey=WXWDASPOKBCBCE-DEOSSOPVSA-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 = 50019420   

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)	BDBM50019420 (CHEMBL3290104) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:25.28,(19.31,-17.83,;19.94,-16.43,;21.47,-16.26,;22.38,-17.51,;23.91,-17.35,;24.53,-15.94,;23.63,-14.7,;24.25,-13.29,;25.79,-13.13,;22.1,-14.86,;20.92,-13.24,;21.4,-11.77,;20.15,-10.87,;18.9,-11.77,;19.38,-13.24,;18.47,-14.48,;19.1,-15.89,;18.2,-17.14,;16.66,-16.98,;15.76,-18.22,;16.04,-15.57,;16.94,-14.32,;20.15,-9.33,;21.48,-8.56,;18.82,-8.56,;18.82,-7.02,;17.48,-6.25,;16.15,-7.02,;14.82,-6.25,;14.82,-4.71,;16.15,-3.94,;17.48,-4.71,;20.15,-6.25,;21.48,-7.02,;20.15,-4.71,)| Show InChI InChI=1S/C26H28FN3O5/c1-34-21-9-6-10-22(35-2)23(21)20-15-19(29-30(20)18-13-11-17(27)12-14-18)25(31)28-24(26(32)33)16-7-4-3-5-8-16/h6,9-16,24H,3-5,7-8H2,1-2H3,(H,28,31)(H,32,33)/t24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	622	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 2 (Rattus norvegicus)	BDBM50019420 (CHEMBL3290104) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:25.28,(19.31,-17.83,;19.94,-16.43,;21.47,-16.26,;22.38,-17.51,;23.91,-17.35,;24.53,-15.94,;23.63,-14.7,;24.25,-13.29,;25.79,-13.13,;22.1,-14.86,;20.92,-13.24,;21.4,-11.77,;20.15,-10.87,;18.9,-11.77,;19.38,-13.24,;18.47,-14.48,;19.1,-15.89,;18.2,-17.14,;16.66,-16.98,;15.76,-18.22,;16.04,-15.57,;16.94,-14.32,;20.15,-9.33,;21.48,-8.56,;18.82,-8.56,;18.82,-7.02,;17.48,-6.25,;16.15,-7.02,;14.82,-6.25,;14.82,-4.71,;16.15,-3.94,;17.48,-4.71,;20.15,-6.25,;21.48,-7.02,;20.15,-4.71,)| Show InChI InChI=1S/C26H28FN3O5/c1-34-21-9-6-10-22(35-2)23(21)20-15-19(29-30(20)18-13-11-17(27)12-14-18)25(31)28-24(26(32)33)16-7-4-3-5-8-16/h6,9-16,24H,3-5,7-8H2,1-2H3,(H,28,31)(H,32,33)/t24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	271	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description 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