BDBM50060787 CHEMBL414469::[D/LAgl (guanidinoacetyl)8]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](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)NC(NC(=O)CNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=UYFOZBPOEJFNLH-IXWZAZEQSA-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 = 50060787   

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)	BDBM50060787 (CHEMBL414469 | [D/LAgl (guanidinoacetyl)8]acyline) 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](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)NC(NC(=O)CNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C76H93ClN18O15/c1-41(2)31-56(72(107)94-66(93-64(100)39-82-76(79)80)75(110)95-30-10-14-63(95)74(109)83-42(3)65(78)101)87-68(103)59(34-47-18-25-54(26-19-47)84-43(4)97)89-70(105)60(35-48-20-27-55(28-21-48)85-44(5)98)91-73(108)62(40-96)92-71(106)61(37-50-11-9-29-81-38-50)90-69(104)58(33-46-16-23-53(77)24-17-46)88-67(102)57(86-45(6)99)36-49-15-22-51-12-7-8-13-52(51)32-49/h7-9,11-13,15-29,32,38,41-42,56-63,66,96H,10,14,30-31,33-37,39-40H2,1-6H3,(H2,78,101)(H,83,109)(H,84,97)(H,85,98)(H,86,99)(H,87,103)(H,88,102)(H,89,105)(H,90,104)(H,91,108)(H,92,106)(H,93,100)(H,94,107)(H4,79,80,82)/t42-,56+,57-,58-,59-,60+,61-,62+,63-,66?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	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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