BDBM50537079 CHEMBL4587303

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](CCCCNC(=O)NCCCCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O

InChI Key: InChIKey=IVUJYKMCAYKZQP-BOLKIBJUSA-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 = 50537079   

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))	BDBM50537079 (CHEMBL4587303) 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](CCCCNC(=O)NCCCCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O |r,t:17,19| Show InChI InChI=1S/C90H123ClN16O21S4/c1-50-22-21-28-71(125-9)90(123)45-70(126-88(122)105-90)51(2)77-89(5,128-77)72(44-74(111)107(7)68-41-56(38-50)42-69(124-8)75(68)91)127-86(120)52(3)106(6)73(110)33-37-129-130-47-65(78(94)112)101-84(118)67-49-132-131-48-66(102-79(113)60(93)39-54-23-13-12-14-24-54)83(117)99-63(40-55-29-31-58(109)32-30-55)81(115)100-64(43-57-46-97-61-26-16-15-25-59(57)61)82(116)98-62(80(114)104-76(53(4)108)85(119)103-67)27-17-20-36-96-87(121)95-35-19-11-10-18-34-92/h12-16,21-26,28-32,41-42,46,51-53,60,62-67,70-72,76-77,97,108-109,123H,10-11,17-20,27,33-40,43-45,47-49,92-93H2,1-9H3,(H2,94,112)(H,98,116)(H,99,117)(H,100,115)(H,101,118)(H,102,113)(H,103,119)(H,104,114)(H,105,122)(H2,95,96,121)/b28-21+,50-22+/t51-,52+,53-,60-,62+,63+,64-,65+,66+,67+,70+,71-,72+,76+,77+,89-,90+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.35E+3	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