BDBM50085816 CHEMBL441208::dicyclo(4-10/5-8)[Ac-D2Nal-DCpa-DTrp-Asp-Glu-DArg-Leu-Lys-Pro-Dpr-NH2]

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCCCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C[C@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O

InChI Key: InChIKey=HCAKHKDXYWOWSN-JZBFVKODSA-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 = 50085816   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50085816 (CHEMBL441208 | dicyclo(4-10/5-8)[Ac-D2Nal-DCpa-DTr...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCCCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C[C@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O Show InChI InChI=1S/C70H90ClN17O13/c1-38(2)30-51-63(95)82-50-16-8-9-27-75-58(90)26-25-49(62(94)80-48(61(93)83-51)17-10-28-76-70(73)74)81-67(99)55(35-59(91)78-37-56(60(72)92)87-68(100)57-18-11-29-88(57)69(50)101)86-66(98)54(34-44-36-77-47-15-7-6-14-46(44)47)85-65(97)53(32-40-20-23-45(71)24-21-40)84-64(96)52(79-39(3)89)33-41-19-22-42-12-4-5-13-43(42)31-41/h4-7,12-15,19-24,31,36,38,48-57,77H,8-11,16-18,25-30,32-35,37H2,1-3H3,(H2,72,92)(H,75,90)(H,78,91)(H,79,89)(H,80,94)(H,81,99)(H,82,95)(H,83,93)(H,84,96)(H,85,97)(H,86,98)(H,87,100)(H4,73,74,76)/t48-,49-,50+,51-,52+,53+,54+,55-,56-,57-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards Gonadotropin-releasing hormone receptor				J Med Chem 43: 819-28 (2000) BindingDB Entry DOI: 10.7270/Q24X570Z
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