Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neurotensin receptor type 1' and Ligand = 'BDBM50511371'   

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))	BDBM50511371 (CHEMBL4438773) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(=N)NC(=O)NCCCCC#C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C46H75N13O9.3C2HF3O2/c1-8-9-10-11-22-53-45(68)58-44(49)52-24-13-16-32(54-37(61)31(50-7)15-12-23-51-43(47)48)41(65)59-25-14-17-35(59)39(63)55-33(27-29-18-20-30(60)21-19-29)38(62)57-36(46(4,5)6)40(64)56-34(42(66)67)26-28(2)3;3*3-2(4,5)1(6)7/h1,18-21,28,31-36,50,60H,9-17,22-27H2,2-7H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,47,48,51)(H4,49,52,53,58,68);3*(H,6,7)/t31-,32-,33-,34-,35-,36+;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	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]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method				ACS Med Chem Lett 11: 334-339 (2020) Article DOI: 10.1021/acsmedchemlett.9b00388 BindingDB Entry DOI: 10.7270/Q2348PQN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50511371 (CHEMBL4438773) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(=N)NC(=O)NCCCCC#C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C46H75N13O9.3C2HF3O2/c1-8-9-10-11-22-53-45(68)58-44(49)52-24-13-16-32(54-37(61)31(50-7)15-12-23-51-43(47)48)41(65)59-25-14-17-35(59)39(63)55-33(27-29-18-20-30(60)21-19-29)38(62)57-36(46(4,5)6)40(64)56-34(42(66)67)26-28(2)3;3*3-2(4,5)1(6)7/h1,18-21,28,31-36,50,60H,9-17,22-27H2,2-7H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,47,48,51)(H4,49,52,53,58,68);3*(H,6,7)/t31-,32-,33-,34-,35-,36+;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	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]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method				ACS Med Chem Lett 11: 334-339 (2020) Article DOI: 10.1021/acsmedchemlett.9b00388 BindingDB Entry DOI: 10.7270/Q2348PQN
					More data for this Ligand-Target Pair