BDBM50537063 CHEMBL4590517

SMILES: [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(O)=O

InChI Key: InChIKey=TZYNASKHQWXFNG-FWPDKWGDSA-N

Data: 1 KI

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 = 50537063   

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
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537063 (CHEMBL4590517) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(O)=O |r,t:17,19| Show InChI InChI=1S/C83H108ClN13O21S4/c1-44-18-17-24-65(115-9)83(113)39-64(116-81(112)95-83)45(2)71-82(5,118-71)66(38-68(101)97(7)62-35-50(32-44)36-63(114-8)69(62)84)117-80(111)46(3)96(6)67(100)29-31-119-120-43-61(79(109)110)93-77(107)60-42-122-121-41-59(91-72(102)54(86)33-48-19-11-10-12-20-48)76(106)89-57(34-49-25-27-52(99)28-26-49)74(104)90-58(37-51-40-87-55-22-14-13-21-53(51)55)75(105)88-56(23-15-16-30-85)73(103)94-70(47(4)98)78(108)92-60/h10-14,17-22,24-28,35-36,40,45-47,54,56-61,64-66,70-71,87,98-99,113H,15-16,23,29-34,37-39,41-43,85-86H2,1-9H3,(H,88,105)(H,89,106)(H,90,104)(H,91,102)(H,92,108)(H,93,107)(H,94,103)(H,95,112)(H,109,110)/b24-17+,44-18+/t45-,46+,47-,54-,56+,57+,58-,59+,60+,61+,64+,65-,66+,70+,71+,82-,83+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036
					More data for this Ligand-Target Pair