BDBM50085772 CHEMBL411964::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCNC(=O)CNC(=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=YBIKCSUYTKCIHX-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 = 50085772   

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)	BDBM50085772 (CHEMBL411964 | Gonadotropin Releasing Hormone anal...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCNC(=O)CNC(=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/C70H89ClN18O14/c1-37(2)27-49-62(96)82-48(16-9-25-76-70(73)74)69(103)89-26-10-17-56(89)68(102)88-55(60(72)94)35-78-57(91)33-54-67(101)81-47(61(95)84-51(64(98)83-49)30-40-18-21-41-11-4-5-12-42(41)28-40)15-8-24-75-59(93)36-79-58(92)32-53(80-38(3)90)66(100)85-50(29-39-19-22-44(71)23-20-39)63(97)86-52(65(99)87-54)31-43-34-77-46-14-7-6-13-45(43)46/h4-7,11-14,18-23,28,34,37,47-56,77H,8-10,15-17,24-27,29-33,35-36H2,1-3H3,(H2,72,94)(H,75,93)(H,78,91)(H,79,92)(H,80,90)(H,81,101)(H,82,96)(H,83,98)(H,84,95)(H,85,100)(H,86,97)(H,87,99)(H,88,102)(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	0.310	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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