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BDBM50086637 (S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-Amino-2-((S)-2,5-diamino-pentanoylamino)-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL138970

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)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=MKBCXPVXAMOPGI-ODKJCKIQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50086637   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))		BDBM50086637
PNG
((S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-Amino-2-((S...)
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)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C36H60N8O8/c1-5-22(4)30(34(49)42-28(36(51)52)19-21(2)3)43-32(47)27(20-23-12-14-24(45)15-13-23)41-33(48)29-11-8-18-44(29)35(50)26(10-7-17-38)40-31(46)25(39)9-6-16-37/h12-15,21-22,25-30,45H,5-11,16-20,37-39H2,1-4H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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Similars
PubMed
n/an/a 1.30n/an/an/an/an/an/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