BDBM50086642 (S)-2-{(2S,3S)-2-[(S)-2-[((S)-1-{(S)-5-[2-(2-Amino-ethylamino)-ethylamino]-2-azido-pentanoyl}-pyrrolidine-2-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL139727

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

InChI Key: InChIKey=MSKWRWNESOYWSP-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 = 50086642   

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))	BDBM50086642 ((S)-2-{(2S,3S)-2-[(S)-2-[((S)-1-{(S)-5-[2-(2-Amino...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C35H58N10O7/c1-5-23(4)30(33(49)41-28(35(51)52)20-22(2)3)42-31(47)27(21-24-10-12-25(46)13-11-24)40-32(48)29-9-7-19-45(29)34(50)26(43-44-37)8-6-15-38-17-18-39-16-14-36/h10-13,22-23,26-30,38-39,46H,5-9,14-21,36H2,1-4H3,(H,40,48)(H,41,49)(H,42,47)(H,51,52)/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	8.80	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