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BDBM50222718 CHEMBL2371562

SMILES: [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCO)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)[C@@H](C)O

InChI Key: InChIKey=NTRFKZHYFPSLHP-VTXVFLIOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222718   
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


(Homo sapiens (Human))		BDBM50222718
PNG
(CHEMBL2371562)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCO)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)[C@@H](C)O
Show InChI InChI=1S/C85H105N17O23S2/c1-5-7-20-57(92-77(116)62(39-104)89-67(109)38-101(29-30-103)84(123)125-85(6-2)54-35-66-70-50(33-48-18-11-13-21-55(48)90-70)37-102(66)82(121)53(54)41-124-83(85)122)72(111)93-60(32-47-24-26-51(108)27-25-47)75(114)96-63(40-105)78(117)97-64-42-126-127-43-65(80(119)99-68(44(3)106)71(87)110)98-81(120)69(45(4)107)100-73(112)58(23-15-28-86)91-76(115)61(34-49-36-88-56-22-14-12-19-52(49)56)95-74(113)59(94-79(64)118)31-46-16-9-8-10-17-46/h8-14,16-19,21-22,24-27,33,35-36,44-45,57-65,68-69,88,103-108H,5-7,15,20,23,28-32,34,37-43,86H2,1-4H3,(H2,87,110)(H,89,109)(H,91,115)(H,92,116)(H,93,111)(H,94,118)(H,95,113)(H,96,114)(H,97,117)(H,98,120)(H,99,119)(H,100,112)/t44-,45-,57+,58+,59+,60-,61-,62-,63-,64-,65-,68+,69+,85+/m1/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors

Bioorg Med Chem Lett 13: 799-803 (2003)


BindingDB Entry DOI: 10.7270/Q2JH3PC3
More data for this
Ligand-Target Pair