BDBM50086643 (S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(3-Amino-propylamino)-2-azido-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL141872

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

InChI Key: InChIKey=UXNWGWJTBQZSKU-AGEVTBPVSA-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 = 50086643   

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))	BDBM50086643 ((S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(3-Amino-pr...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C34H55N9O7/c1-5-22(4)29(32(47)39-27(34(49)50)19-21(2)3)40-30(45)26(20-23-11-13-24(44)14-12-23)38-31(46)28-10-7-18-43(28)33(48)25(41-42-36)9-6-16-37-17-8-15-35/h11-14,21-22,25-29,37,44H,5-10,15-20,35H2,1-4H3,(H,38,46)(H,39,47)(H,40,45)(H,49,50)/t22-,25-,26-,27-,28-,29-/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	3.90	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