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BDBM50096818 (S)-6-Amino-2-{(S)-3-(1H-indol-3-yl)-2-[(piperidine-3-carbonyl)-amino]-butyrylamino}-hexanoic acid tert-butyl ester::CHEMBL435981

SMILES: C[C@H](C(NC(=O)C1CCCNC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12

InChI Key: InChIKey=IUIRPTAONVXKRZ-PRBNTBCMSA-N

Data: 1 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096818   
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
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50096818
PNG
((S)-6-Amino-2-{(S)-3-(1H-indol-3-yl)-2-[(piperidin...)
Show SMILES C[C@H](C(NC(=O)C1CCCNC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H43N5O4/c1-18(21-17-31-22-12-6-5-11-20(21)22)24(33-25(34)19-10-9-15-30-16-19)26(35)32-23(13-7-8-14-29)27(36)37-28(2,3)4/h5-6,11-12,17-19,23-24,30-31H,7-10,13-16,29H2,1-4H3,(H,32,35)(H,33,34)/t18-,19?,23-,24?/m0/s1
PDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 178n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor

Bioorg Med Chem Lett 11: 415-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair