BDBM50085725 CHEMBL439256::DiCyclo (4-10/5,5'-8) [Ac-D Nal, D Cpa, D Pal, Asp, Asp(Phe), D Arg, Leu, Orn, 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)C2CCCNC(=O)[C@@H](Cc3ccccc3)NC(=O)C[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=KSGOJILWJYSGQW-ANONHMTISA-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 = 50085725   

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)	BDBM50085725 (CHEMBL439256 | 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)C2CCCNC(=O)[C@@H](Cc3ccccc3)NC(=O)C[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/C65H89ClN18O14/c1-5-41(74-36(4)85)56(90)79-46(29-38-19-21-40(66)22-20-38)59(93)80-47(30-39-15-9-23-70-33-39)60(94)81-48-31-52(86)73-34-50(54(67)88)83-63(97)51-18-12-26-84(51)64(98)43-17-11-24-71-55(89)45(28-37-13-7-6-8-14-37)75-53(87)32-49(82-62(48)96)61(95)76-42(16-10-25-72-65(68)69)57(91)78-44(27-35(2)3)58(92)77-43/h6-9,13-15,19-23,33,35,41-51H,5,10-12,16-18,24-32,34H2,1-4H3,(H2,67,88)(H,71,89)(H,73,86)(H,74,85)(H,75,87)(H,76,95)(H,77,92)(H,78,91)(H,79,90)(H,80,93)(H,81,94)(H,82,96)(H,83,97)(H4,68,69,72)/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	0.75	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