BDBM50060773 CHEMBL262842::[L or DAgl (nicotinoyl)3]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](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)NC(=O)c1cccnc1)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=IMVHFVNUAUEHCR-MIIZVWPUSA-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 = 50060773   

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)	BDBM50060773 (CHEMBL262842 | [L or DAgl (nicotinoyl)3]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](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)NC(=O)c1cccnc1)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/C80H101ClN16O15/c1-45(2)37-62(72(104)89-61(18-11-12-35-84-46(3)4)80(112)97-36-14-19-68(97)78(110)85-47(5)69(82)102)90-74(106)64(40-52-23-30-59(31-24-52)86-48(6)99)91-75(107)65(41-53-25-32-60(33-26-53)87-49(7)100)93-77(109)67(44-98)94-79(111)70(95-71(103)57-17-13-34-83-43-57)96-76(108)66(39-51-21-28-58(81)29-22-51)92-73(105)63(88-50(8)101)42-54-20-27-55-15-9-10-16-56(55)38-54/h9-10,13,15-17,20-34,38,43,45-47,61-68,70,84,98H,11-12,14,18-19,35-37,39-42,44H2,1-8H3,(H2,82,102)(H,85,110)(H,86,99)(H,87,100)(H,88,101)(H,89,104)(H,90,106)(H,91,107)(H,92,105)(H,93,109)(H,94,111)(H,95,103)(H,96,108)/t47-,61+,62+,63-,64-,65+,66-,67+,68-,70+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	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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