BDBM50060795 CHEMBL2370590::[D or LAgl (Me, isopropyl--Ala)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)N[C@@H](N(C)C(=O)CCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=VJZPUUGPEMLQFK-YSYLTIPWSA-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 = 50060795   

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)	BDBM50060795 (CHEMBL2370590 | [D or LAgl (Me, isopropyl--Ala)8]a...) 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)N[C@@H](N(C)C(=O)CCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C80H101ClN16O15/c1-45(2)36-61(77(109)95-71(96(9)69(102)32-34-84-46(3)4)80(112)97-35-13-17-68(97)79(111)85-47(5)70(82)103)89-73(105)64(39-52-21-28-59(29-22-52)86-48(6)99)91-75(107)65(40-53-23-30-60(31-24-53)87-49(7)100)93-78(110)67(44-98)94-76(108)66(42-55-14-12-33-83-43-55)92-74(106)63(38-51-19-26-58(81)27-20-51)90-72(104)62(88-50(8)101)41-54-18-25-56-15-10-11-16-57(56)37-54/h10-12,14-16,18-31,33,37,43,45-47,61-68,71,84,98H,13,17,32,34-36,38-42,44H2,1-9H3,(H2,82,103)(H,85,111)(H,86,99)(H,87,100)(H,88,101)(H,89,105)(H,90,104)(H,91,107)(H,92,106)(H,93,110)(H,94,108)(H,95,109)/t47-,61+,62-,63-,64-,65+,66-,67+,68-,71+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	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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