BDBM50060789 CHEMBL262309::[D or LAgl (Me,formyl)4]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](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)N(C)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=IMXARGZBPGLZSD-ZDZVPBNWSA-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 = 50060789   

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)	BDBM50060789 (CHEMBL262309 | [D or LAgl (Me,formyl)4]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](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)N(C)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/C81H103ClN16O14/c1-47(2)38-64(73(104)90-63(19-12-13-36-85-48(3)4)81(112)98-37-15-20-70(98)79(110)86-49(5)71(83)103)91-75(106)67(41-54-24-31-61(32-25-54)87-50(6)100)93-77(108)68(42-55-26-33-62(34-27-55)88-51(7)101)95-80(111)72(97(9)46-99)96-78(109)69(44-57-16-14-35-84-45-57)94-76(107)66(40-53-22-29-60(82)30-23-53)92-74(105)65(89-52(8)102)43-56-21-28-58-17-10-11-18-59(58)39-56/h10-11,14,16-18,21-35,39,45-49,63-70,72,85H,12-13,15,19-20,36-38,40-44H2,1-9H3,(H2,83,103)(H,86,110)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,106)(H,92,105)(H,93,108)(H,94,107)(H,95,111)(H,96,109)/t49-,63+,64+,65-,66-,67-,68+,69-,70-,72-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	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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