BDBM50085718 CHEMBL410820::DiCyclo (4-10/5,5'-8) [Ac-D Nal, D Cpa, D Pal, Asp, Glu(Phe), D Cit, 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](Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O

InChI Key: InChIKey=YWZNLHMXUGHCAL-JOMILAFQSA-N

Data: 1 KI

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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 = 50085718   

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)	BDBM50085718 (CHEMBL410820 | 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](Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H88ClN17O15/c1-5-41(73-36(4)84)56(89)79-47(30-38-17-19-40(66)20-18-38)60(93)80-48(31-39-14-9-24-69-33-39)61(94)81-49-32-53(86)72-34-50(54(67)87)82-63(96)51-16-11-27-83(51)64(97)44-23-26-70-55(88)46(29-37-12-7-6-8-13-37)74-52(85)22-21-43(76-62(49)95)58(91)75-42(15-10-25-71-65(68)98)57(90)78-45(28-35(2)3)59(92)77-44/h6-9,12-14,17-20,24,33,35,41-51H,5,10-11,15-16,21-23,25-32,34H2,1-4H3,(H2,67,87)(H,70,88)(H,72,86)(H,73,84)(H,74,85)(H,75,91)(H,76,95)(H,77,92)(H,78,90)(H,79,89)(H,80,93)(H,81,94)(H,82,96)(H3,68,71,98)/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	0.200	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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