BDBM50085806 CHEMBL216633::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2

InChI Key: InChIKey=YEUNZAUTBYQPFK-XTVVXWSOSA-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 = 50085806   

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)	BDBM50085806 (CHEMBL216633 | Gonadotropin Releasing Hormone anal...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C66H82ClN17O13/c1-34(2)24-45-57(89)76-44(14-8-22-71-66(69)70)65(97)84-23-9-15-53(84)64(96)82-51(56(68)88)32-73-55(87)30-50-62(94)83-52(63(95)79-47(59(91)77-45)27-37-16-19-38-10-4-5-11-39(38)25-37)33-74-54(86)29-49(75-35(3)85)61(93)78-46(26-36-17-20-41(67)21-18-36)58(90)80-48(60(92)81-50)28-40-31-72-43-13-7-6-12-42(40)43/h4-7,10-13,16-21,25,31,34,44-53,72H,8-9,14-15,22-24,26-30,32-33H2,1-3H3,(H2,68,88)(H,73,87)(H,74,86)(H,75,85)(H,76,89)(H,77,91)(H,78,93)(H,79,95)(H,80,90)(H,81,92)(H,82,96)(H,83,94)(H4,69,70,71)/t44-,45+,46-,47+,48+,49+,50+,51+,52-,53+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 807-18 (2000) BindingDB Entry DOI: 10.7270/Q28P5ZQW
					More data for this Ligand-Target Pair