BDBM50060777 CHEMBL429902::[L or DAgl (Me,4-Cl-benzoyl)2]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](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)N(C)C(=O)c1ccc(Cl)cc1)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=JYJUXBIZIJGULW-RHNJQLEHSA-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 = 50060777   

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)	BDBM50060777 (CHEMBL429902 | [L or DAgl (Me,4-Cl-benzoyl)2]acyli...) 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](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)N(C)C(=O)c1ccc(Cl)cc1)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)38-63(72(104)90-62(19-12-13-36-85-47(3)4)81(113)98-37-15-20-69(98)78(110)86-48(5)70(83)103)91-73(105)65(40-52-22-31-60(32-23-52)87-49(6)100)92-74(106)66(41-53-24-33-61(34-25-53)88-50(7)101)93-77(109)68(45-99)95-75(107)67(43-55-16-14-35-84-44-55)94-79(111)71(97(9)80(112)57-27-29-59(82)30-28-57)96-76(108)64(89-51(8)102)42-54-21-26-56-17-10-11-18-58(56)39-54/h10-11,14,16-18,21-35,39,44,46-48,62-69,71,85,99H,12-13,15,19-20,36-38,40-43,45H2,1-9H3,(H2,83,103)(H,86,110)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,105)(H,92,106)(H,93,109)(H,94,111)(H,95,107)(H,96,108)/t48-,62+,63+,64-,65-,66+,67-,68+,69-,71-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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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