BDBM50085737 CHEMBL438597::DiCyclo (4-10/5,5'-8) [Ac-D Nal, D Cpa, D Pal, Asp, Glu(Cpa), D Arg, Leu, Dbu, Pro, Dpr]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]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O

InChI Key: InChIKey=WMDYKDYXXYBJLN-JOMILAFQSA-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 = 50085737   

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)	BDBM50085737 (CHEMBL438597 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) 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]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H88Cl2N18O14/c1-5-41(75-35(4)86)56(91)81-47(29-37-14-18-40(67)19-15-37)60(95)82-48(30-38-9-6-23-71-32-38)61(96)83-49-31-53(88)74-33-50(54(68)89)84-63(98)51-11-8-26-85(51)64(99)44-22-25-72-55(90)46(28-36-12-16-39(66)17-13-36)76-52(87)21-20-43(78-62(49)97)58(93)77-42(10-7-24-73-65(69)70)57(92)80-45(27-34(2)3)59(94)79-44/h6,9,12-19,23,32,34,41-51H,5,7-8,10-11,20-22,24-31,33H2,1-4H3,(H2,68,89)(H,72,90)(H,74,88)(H,75,86)(H,76,87)(H,77,93)(H,78,97)(H,79,94)(H,80,92)(H,81,91)(H,82,95)(H,83,96)(H,84,98)(H4,69,70,73)/t41-,42-,43-,44?,45+,46+,47-,48-,49-,50?,51-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	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
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