BDBM50069090 CHEMBL3403506

SMILES: COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1cccc2ccccc12

InChI Key: InChIKey=ZZYLCNLEKXOHSR-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 = 50069090   

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)	BDBM50069090 (CHEMBL3403506) Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1cccc2ccccc12 |(-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,;2.66,-.77,;1.33,-1.54,;,-.77,)| Show InChI InChI=1S/C29H29N3O5/c1-36-23-14-9-15-24(37-2)26(23)22-18-25(30-27(33)29(28(34)35)16-6-3-7-17-29)31-32(22)21-13-8-11-19-10-4-5-12-20(19)21/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,34,35)(H,30,31,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	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)	BDBM50069090 (CHEMBL3403506) Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1cccc2ccccc12 |(-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,;2.66,-.77,;1.33,-1.54,;,-.77,)| Show InChI InChI=1S/C29H29N3O5/c1-36-23-14-9-15-24(37-2)26(23)22-18-25(30-27(33)29(28(34)35)16-6-3-7-17-29)31-32(22)21-13-8-11-19-10-4-5-12-20(19)21/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,34,35)(H,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+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