BDBM50019409 CHEMBL3290093

SMILES: OC(=O)[C@@H](NC(=O)c1cc(-c2c(F)cccc2F)n(n1)-c1ccnc2cc(Cl)ccc12)C1CCCCC1

InChI Key: InChIKey=XJSGFYNGKBZELF-VWLOTQADSA-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 = 50019409   

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)	BDBM50019409 (CHEMBL3290093) Show SMILES OC(=O)[C@@H](NC(=O)c1cc(-c2c(F)cccc2F)n(n1)-c1ccnc2cc(Cl)ccc12)C1CCCCC1 |r,wU:3.34,(22.59,-5.16,;22.75,-6.7,;24.15,-7.32,;21.5,-7.6,;21.66,-9.13,;23.07,-9.76,;24.32,-8.85,;23.23,-11.29,;24.56,-12.06,;24.24,-13.57,;25.58,-15.05,;25.11,-16.52,;23.6,-16.84,;26.14,-17.66,;27.64,-17.34,;28.12,-15.88,;27.09,-14.73,;27.57,-13.27,;22.71,-13.73,;22.09,-12.32,;21.94,-15.06,;22.71,-16.39,;21.94,-17.73,;20.4,-17.73,;19.63,-16.39,;18.09,-16.39,;17.32,-15.06,;15.78,-15.06,;18.09,-13.73,;19.63,-13.73,;20.4,-15.06,;20.09,-6.97,;18.85,-7.88,;17.44,-7.25,;17.28,-5.72,;18.53,-4.82,;19.93,-5.44,)| Show InChI InChI=1S/C27H23ClF2N4O3/c28-16-9-10-17-20(13-16)31-12-11-22(17)34-23(24-18(29)7-4-8-19(24)30)14-21(33-34)26(35)32-25(27(36)37)15-5-2-1-3-6-15/h4,7-15,25H,1-3,5-6H2,(H,32,35)(H,36,37)/t25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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)	BDBM50019409 (CHEMBL3290093) Show SMILES OC(=O)[C@@H](NC(=O)c1cc(-c2c(F)cccc2F)n(n1)-c1ccnc2cc(Cl)ccc12)C1CCCCC1 |r,wU:3.34,(22.59,-5.16,;22.75,-6.7,;24.15,-7.32,;21.5,-7.6,;21.66,-9.13,;23.07,-9.76,;24.32,-8.85,;23.23,-11.29,;24.56,-12.06,;24.24,-13.57,;25.58,-15.05,;25.11,-16.52,;23.6,-16.84,;26.14,-17.66,;27.64,-17.34,;28.12,-15.88,;27.09,-14.73,;27.57,-13.27,;22.71,-13.73,;22.09,-12.32,;21.94,-15.06,;22.71,-16.39,;21.94,-17.73,;20.4,-17.73,;19.63,-16.39,;18.09,-16.39,;17.32,-15.06,;15.78,-15.06,;18.09,-13.73,;19.63,-13.73,;20.4,-15.06,;20.09,-6.97,;18.85,-7.88,;17.44,-7.25,;17.28,-5.72,;18.53,-4.82,;19.93,-5.44,)| Show InChI InChI=1S/C27H23ClF2N4O3/c28-16-9-10-17-20(13-16)31-12-11-22(17)34-23(24-18(29)7-4-8-19(24)30)14-21(33-34)26(35)32-25(27(36)37)15-5-2-1-3-6-15/h4,7-15,25H,1-3,5-6H2,(H,32,35)(H,36,37)/t25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	166	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