BDBM50019408 CHEMBL3290092

SMILES: COc1ccccc1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O

InChI Key: InChIKey=RKURKWRITPPKHJ-SANMLTNESA-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 = 50019408   

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)	BDBM50019408 (CHEMBL3290092) Show SMILES COc1ccccc1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C28H27ClN4O4/c1-37-25-10-6-5-9-20(25)24-16-22(27(34)31-26(28(35)36)17-7-3-2-4-8-17)32-33(24)23-13-14-30-21-15-18(29)11-12-19(21)23/h5-6,9-17,26H,2-4,7-8H2,1H3,(H,31,34)(H,35,36)/t26-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+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)	BDBM50019408 (CHEMBL3290092) Show SMILES COc1ccccc1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C28H27ClN4O4/c1-37-25-10-6-5-9-20(25)24-16-22(27(34)31-26(28(35)36)17-7-3-2-4-8-17)32-33(24)23-13-14-30-21-15-18(29)11-12-19(21)23/h5-6,9-17,26H,2-4,7-8H2,1H3,(H,31,34)(H,35,36)/t26-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	258	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