BDBM50085774 CHEMBL385982::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCNC(=O)CNC(=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=BCQNAQQVWSGKHZ-WLUZFLQQSA-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 = 50085774   

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)	BDBM50085774 (CHEMBL385982 | Gonadotropin Releasing Hormone anal...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCNC(=O)CNC(=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/C71H91ClN18O14/c1-38(2)29-51-64(98)83-50(16-9-27-77-71(74)75)70(104)90-28-10-17-57(90)69(103)89-56(61(73)95)36-79-59(93)34-55-68(102)82-48(62(96)86-53(66(100)84-51)32-41-18-21-42-11-4-5-12-43(42)30-41)15-8-26-76-60(94)37-80-58(92)25-24-49(81-39(3)91)63(97)85-52(31-40-19-22-45(72)23-20-40)65(99)87-54(67(101)88-55)33-44-35-78-47-14-7-6-13-46(44)47/h4-7,11-14,18-23,30,35,38,48-57,78H,8-10,15-17,24-29,31-34,36-37H2,1-3H3,(H2,73,95)(H,76,94)(H,79,93)(H,80,92)(H,81,91)(H,82,102)(H,83,98)(H,84,100)(H,85,97)(H,86,96)(H,87,99)(H,88,101)(H,89,103)(H4,74,75,77)/t48-,49-,50+,51-,52+,53-,54-,55-,56-,57-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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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