BDBM50085735 CHEMBL412681::Cyclo (5-8) [Ac-D Nal, D Cpa, D Pal, Asp, Glu, D Arg, Leu, Aph, Pro, D Ala]GnRH

SMILES: CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)Nc2ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O)cc2

InChI Key: InChIKey=TVSDPVWVGLIHAP-NTXBJTMNSA-N

Data: 1 KI

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 = 50085735   

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)	BDBM50085735 (CHEMBL412681 | Cyclo (5-8) [Ac-D Nal, D Cpa, D Pal...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)Nc2ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O)cc2 Show InChI InChI=1S/C61H83ClN16O14/c1-6-40(69-34(5)79)52(84)74-44(27-35-13-17-38(62)18-14-35)56(88)75-45(29-37-10-7-23-66-31-37)57(89)76-46(30-50(81)82)58(90)72-42-21-22-49(80)70-39-19-15-36(16-20-39)28-47(60(92)78-25-9-12-48(78)59(91)68-33(4)51(63)83)77-55(87)43(26-32(2)3)73-53(85)41(71-54(42)86)11-8-24-67-61(64)65/h7,10,13-20,23,31-33,40-48H,6,8-9,11-12,21-22,24-30H2,1-5H3,(H2,63,83)(H,68,91)(H,69,79)(H,70,80)(H,71,86)(H,72,90)(H,73,85)(H,74,84)(H,75,88)(H,76,89)(H,77,87)(H,81,82)(H4,64,65,67)/t33-,40-,41+,42+,43-,44-,45-,46-,47-,48+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair