BDBM50511367 CHEMBL4533793

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCCCC#C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O

InChI Key: InChIKey=WFTPJKAHWCRAND-KACGYERISA-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 = 50511367   

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
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50511367 (CHEMBL4533793) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCCCC#C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C45H73N13O9.3C2HF3O2/c1-7-8-9-10-21-52-44(67)57-43(49)51-23-12-15-31(53-36(60)30(46)14-11-22-50-42(47)48)40(64)58-24-13-16-34(58)38(62)54-32(26-28-17-19-29(59)20-18-28)37(61)56-35(45(4,5)6)39(63)55-33(41(65)66)25-27(2)3;3*3-2(4,5)1(6)7/h1,17-20,27,30-35,59H,8-16,21-26,46H2,2-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)(H,65,66)(H4,47,48,50)(H4,49,51,52,57,67);3*(H,6,7)/t30-,31-,32-,33-,34-,35+;;;/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
					More data for this Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50511367 (CHEMBL4533793) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCCCC#C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C45H73N13O9.3C2HF3O2/c1-7-8-9-10-21-52-44(67)57-43(49)51-23-12-15-31(53-36(60)30(46)14-11-22-50-42(47)48)40(64)58-24-13-16-34(58)38(62)54-32(26-28-17-19-29(59)20-18-28)37(61)56-35(45(4,5)6)39(63)55-33(41(65)66)25-27(2)3;3*3-2(4,5)1(6)7/h1,17-20,27,30-35,59H,8-16,21-26,46H2,2-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)(H,65,66)(H4,47,48,50)(H4,49,51,52,57,67);3*(H,6,7)/t30-,31-,32-,33-,34-,35+;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	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
					More data for this Ligand-Target Pair