BDBM50085752 CHEMBL436661::cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D-Dbu-Ser-Tyr-D-Nal-Leu-Arg-Pro-D-Ala-NH2

SMILES: CCCCC1C[C@@H](NC(=O)CNC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O

InChI Key: InChIKey=QFYGAQYCUFYNEQ-NBKAVJBFSA-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 = 50085752   

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)	BDBM50085752 (CHEMBL436661 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...) Show SMILES CCCCC1C[C@@H](NC(=O)CNC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C70H95ClN16O15/c1-6-7-14-47-34-54(80-59(92)36-76-58(91)35-55(78-40(5)89)66(99)83-51(61(94)79-47)31-41-18-23-46(71)24-19-41)65(98)86-56(37-88)67(100)85-52(32-42-20-25-48(90)26-21-42)63(96)84-53(33-43-17-22-44-12-8-9-13-45(44)30-43)64(97)82-50(29-38(2)3)62(95)81-49(15-10-27-75-70(73)74)69(102)87-28-11-16-57(87)68(101)77-39(4)60(72)93/h8-9,12-13,17-26,30,38-39,47,49-57,88,90H,6-7,10-11,14-16,27-29,31-37H2,1-5H3,(H2,72,93)(H,76,91)(H,77,101)(H,78,89)(H,79,94)(H,80,92)(H,81,95)(H,82,97)(H,83,99)(H,84,96)(H,85,100)(H,86,98)(H4,73,74,75)/t39?,47?,49-,50+,51+,52-,53?,54+,55?,56-,57+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair