BDBM50085793 CHEMBL411963::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CNC(=O)CCNC(=O)CC[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=QTCFTOTURSJSIA-YSDYSDIASA-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 = 50085793   

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)	BDBM50085793 (CHEMBL411963 | Gonadotropin Releasing Hormone anal...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CNC(=O)CCNC(=O)CC[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/C70H89ClN18O14/c1-37(2)28-49-62(96)81-48(14-8-25-76-70(73)74)69(103)89-27-9-15-56(89)68(102)87-54(60(72)94)35-79-59(93)33-53-66(100)88-55(67(101)84-51(64(98)82-49)31-40-16-19-41-10-4-5-11-42(41)29-40)36-78-58(92)24-26-75-57(91)23-22-47(80-38(3)90)61(95)83-50(30-39-17-20-44(71)21-18-39)63(97)85-52(65(99)86-53)32-43-34-77-46-13-7-6-12-45(43)46/h4-7,10-13,16-21,29,34,37,47-56,77H,8-9,14-15,22-28,30-33,35-36H2,1-3H3,(H2,72,94)(H,75,91)(H,78,92)(H,79,93)(H,80,90)(H,81,96)(H,82,98)(H,83,95)(H,84,101)(H,85,97)(H,86,99)(H,87,102)(H,88,100)(H4,73,74,76)/t47-,48+,49-,50+,51-,52-,53-,54-,55-,56-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	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
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