BDBM50060785 CHEMBL268095::[D or LAgl (hydroxyacetic acid)4]acyline

SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@@H](NC(=O)CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=DXRRUDAFYMNINE-FEPABEFVSA-N

Data: 1 IC50

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 = 50060785   

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
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50060785 (CHEMBL268095 | [D or LAgl (hydroxyacetic acid)4]ac...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@@H](NC(=O)CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C81H103ClN16O15/c1-46(2)37-63(73(105)90-62(18-11-12-35-85-47(3)4)81(113)98-36-14-19-69(98)79(111)86-48(5)71(83)104)91-75(107)66(40-53-23-30-60(31-24-53)87-49(6)100)93-77(109)67(41-54-25-32-61(33-26-54)88-50(7)101)95-80(112)72(96-70(103)45-99)97-78(110)68(43-56-15-13-34-84-44-56)94-76(108)65(39-52-21-28-59(82)29-22-52)92-74(106)64(89-51(8)102)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-69,72,85,99H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,83,104)(H,86,111)(H,87,100)(H,88,101)(H,89,102)(H,90,105)(H,91,107)(H,92,106)(H,93,109)(H,94,108)(H,95,112)(H,96,103)(H,97,110)/t48-,62+,63+,64-,65-,66-,67+,68-,69-,72+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Inhibition of binding of radiolabeled histrelin to Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary gland membranes				J Med Chem 40: 3739-48 (1997) Article DOI: 10.1021/jm970024p BindingDB Entry DOI: 10.7270/Q24J0D8X
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