BDBM50069089 CHEMBL3403505

SMILES: COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12

InChI Key: InChIKey=WYEXHFGVCLTCPV-UHFFFAOYSA-N

Data: 2 KI

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 = 50069089   

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)	BDBM50069089 (CHEMBL3403505) Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.39,-5.37,;2.8,-7.74,;3.73,-8.94,;3.11,-10.35,;1.58,-10.52,;.67,-9.28,;1.29,-7.87,;4.33,-7.57,;5.06,-8.57,;4.83,-6.44,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,)| Show InChI InChI=1S/C28H27ClN4O5/c1-37-22-7-6-8-23(38-2)25(22)21-16-24(31-26(34)28(27(35)36)12-4-3-5-13-28)32-33(21)20-11-14-30-19-15-17(29)9-10-18(19)20/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,35,36)(H,31,32,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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)	BDBM50069089 (CHEMBL3403505) Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.39,-5.37,;2.8,-7.74,;3.73,-8.94,;3.11,-10.35,;1.58,-10.52,;.67,-9.28,;1.29,-7.87,;4.33,-7.57,;5.06,-8.57,;4.83,-6.44,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,)| Show InChI InChI=1S/C28H27ClN4O5/c1-37-22-7-6-8-23(38-2)25(22)21-16-24(31-26(34)28(27(35)36)12-4-3-5-13-28)32-33(21)20-11-14-30-19-15-17(29)9-10-18(19)20/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,35,36)(H,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.18E+3	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