BDBM50281812 (S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-5-Amino-2-tert-butoxycarbonylamino-pentanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL427656

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=HLOWRFPXKLXCRG-AGEVTBPVSA-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 = 50281812   

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 1 (Rattus norvegicus)	BDBM50281812 ((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-5-Amino-2-ter...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C36H58N6O9/c1-8-22(4)29(32(46)39-27(34(48)49)19-21(2)3)41-30(44)26(20-23-13-15-24(43)16-14-23)38-31(45)28-12-10-18-42(28)33(47)25(11-9-17-37)40-35(50)51-36(5,6)7/h13-16,21-22,25-29,43H,8-12,17-20,37H2,1-7H3,(H,38,45)(H,39,46)(H,40,50)(H,41,44)(H,48,49)/t22-,25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against rat neurotensin receptor.				Bioorg Med Chem Lett 3: 2055-2060 (1993) Article DOI: 10.1016/S0960-894X(01)81014-3 BindingDB Entry DOI: 10.7270/Q2M045XW
					More data for this Ligand-Target Pair
Neurotensin receptor 1 (Rattus norvegicus)	BDBM50281812 ((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-5-Amino-2-ter...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C36H58N6O9/c1-8-22(4)29(32(46)39-27(34(48)49)19-21(2)3)41-30(44)26(20-23-13-15-24(43)16-14-23)38-31(45)28-12-10-18-42(28)33(47)25(11-9-17-37)40-35(50)51-36(5,6)7/h13-16,21-22,25-29,43H,8-12,17-20,37H2,1-7H3,(H,38,45)(H,39,46)(H,40,50)(H,41,44)(H,48,49)/t22-,25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Neurotensin receptor binding affinity by displacement of [3H]- neurotensin				Bioorg Med Chem Lett 3: 1035-1040 (1993) Article DOI: 10.1016/S0960-894X(00)80282-6 BindingDB Entry DOI: 10.7270/Q27S7NQN
					More data for this Ligand-Target Pair