BDBM50060803 CHEMBL436897::[L or DAgl (isonicotinoyl)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)c1ccncc1)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=NJKYQJPDCBMRCI-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 = 50060803   

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)	BDBM50060803 (CHEMBL436897 | [L or DAgl (isonicotinoyl)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)c1ccncc1)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)38-62(72(104)89-61(16-11-12-34-84-46(3)4)80(112)97-37-13-17-68(97)78(110)85-47(5)69(82)102)90-74(106)64(41-52-21-28-59(29-22-52)86-48(6)99)91-75(107)65(42-53-23-30-60(31-24-53)87-49(7)100)93-77(109)67(44-98)94-79(111)70(95-71(103)56-32-35-83-36-33-56)96-76(108)66(40-51-19-26-58(81)27-20-51)92-73(105)63(88-50(8)101)43-54-18-25-55-14-9-10-15-57(55)39-54/h9-10,14-15,18-33,35-36,39,45-47,61-68,70,84,98H,11-13,16-17,34,37-38,40-44H2,1-8H3,(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	1.40	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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