BDBM50060791 CHEMBL2370592::[D/LAgl (Me/isobutyryl)7]acyline

SMILES: CC(C)CC(=O)N(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)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=KJOTXMRLHQHGLD-JDMDKSDVSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060791   

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)	BDBM50060791 (CHEMBL2370592 | [D/LAgl (Me/isobutyryl)7]acyline) Show SMILES CC(C)CC(=O)N(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)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C82H105ClN16O15/c1-47(2)38-71(104)98(9)73(81(113)91-63(19-12-13-36-86-48(3)4)82(114)99-37-15-20-70(99)80(112)87-49(5)72(84)105)97-78(110)67(42-55-26-33-62(34-27-55)89-51(7)102)93-76(108)66(41-54-24-31-61(32-25-54)88-50(6)101)95-79(111)69(46-100)96-77(109)68(44-57-16-14-35-85-45-57)94-75(107)65(40-53-22-29-60(83)30-23-53)92-74(106)64(90-52(8)103)43-56-21-28-58-17-10-11-18-59(58)39-56/h10-11,14,16-18,21-35,39,45,47-49,63-70,73,86,100H,12-13,15,19-20,36-38,40-44,46H2,1-9H3,(H2,84,105)(H,87,112)(H,88,101)(H,89,102)(H,90,103)(H,91,113)(H,92,106)(H,93,108)(H,94,107)(H,95,111)(H,96,109)(H,97,110)/t49-,63+,64-,65-,66+,67-,68-,69+,70-,73+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	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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