BDBM50069088 CHEMBL3403504

SMILES: COc1cccc(OC)c1-c1cc(CN[C@@H](C2CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12

InChI Key: InChIKey=UCPIZCJXHXRCNC-NDEPHWFRSA-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 = 50069088   

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)	BDBM50069088 (CHEMBL3403504) Show SMILES COc1cccc(OC)c1-c1cc(CN[C@@H](C2CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |r,wU:15.16,(-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,;2.8,-7.74,;4.33,-7.57,;5.25,-8.81,;6.78,-8.64,;7.4,-7.23,;6.48,-5.99,;4.95,-6.16,;2.18,-9.15,;.96,-9.29,;2.91,-10.14,;-.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/C29H31ClN4O4/c1-37-25-9-6-10-26(38-2)27(25)24-16-20(17-32-28(29(35)36)18-7-4-3-5-8-18)33-34(24)23-13-14-31-22-15-19(30)11-12-21(22)23/h6,9-16,18,28,32H,3-5,7-8,17H2,1-2H3,(H,35,36)/t28-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 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)	BDBM50069088 (CHEMBL3403504) Show SMILES COc1cccc(OC)c1-c1cc(CN[C@@H](C2CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |r,wU:15.16,(-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,;2.8,-7.74,;4.33,-7.57,;5.25,-8.81,;6.78,-8.64,;7.4,-7.23,;6.48,-5.99,;4.95,-6.16,;2.18,-9.15,;.96,-9.29,;2.91,-10.14,;-.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/C29H31ClN4O4/c1-37-25-9-6-10-26(38-2)27(25)24-16-20(17-32-28(29(35)36)18-7-4-3-5-8-18)33-34(24)23-13-14-31-22-15-19(30)11-12-21(22)23/h6,9-16,18,28,32H,3-5,7-8,17H2,1-2H3,(H,35,36)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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