Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurotensin receptor type 1' and Ligand = 'BDBM50206700'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50206700 (CHEMBL3942198) Show SMILES CC[C@H](C)[C@H](NC(=O)C1(CCOC1c1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C40H65BrN12O8/c1-5-23(4)30(34(56)50-28(36(58)59)21-22(2)3)51-37(60)40(16-20-61-31(40)24-12-14-25(41)15-13-24)52-33(55)29-11-8-19-53(29)35(57)27(10-7-18-48-39(45)46)49-32(54)26(42)9-6-17-47-38(43)44/h12-15,22-23,26-31H,5-11,16-21,42H2,1-4H3,(H,49,54)(H,50,56)(H,51,60)(H,52,55)(H,58,59)(H4,43,44,47)(H4,45,46,48)/t23-,26-,27-,28-,29-,30-,31?,40?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHOK1 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 25: 350-359 (2017) Article DOI: 10.1016/j.bmc.2016.10.039 BindingDB Entry DOI: 10.7270/Q2DR2XG4
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