BDBM50086638 (S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(4-Amino-butylamino)-2-azido-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL344020

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=DDUDMHTVUYANAL-OBXVVNIGSA-N

Data: 1 IC50

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 1 hit for monomerid = 50086638   

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))	BDBM50086638 ((S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(4-Amino-bu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C35H57N9O7/c1-5-23(4)30(33(48)40-28(35(50)51)20-22(2)3)41-31(46)27(21-24-12-14-25(45)15-13-24)39-32(47)29-11-9-19-44(29)34(49)26(42-43-37)10-8-18-38-17-7-6-16-36/h12-15,22-23,26-30,38,45H,5-11,16-21,36H2,1-4H3,(H,39,47)(H,40,48)(H,41,46)(H,50,51)/t23-,26-,27-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells				Bioorg Med Chem Lett 10: 453-5 (2000) BindingDB Entry DOI: 10.7270/Q2X929H9
					More data for this Ligand-Target Pair