BDBM50508233 CHEMBL4584512

SMILES: CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=GEPVPKJFUUTZIK-CUPIEXAXSA-N

Data: 1 EC50

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 = 50508233   

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
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50508233 (CHEMBL4584512) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C41H59N11O6/c1-25(2)21-33(50-41(58)52-51-39(57)34(22-26-13-6-4-7-14-26)49-36(54)27-15-8-5-9-16-27)38(56)47-31(19-12-20-45-40(43)44-3)37(55)48-32(35(42)53)23-28-24-46-30-18-11-10-17-29(28)30/h4,6-7,10-11,13-14,17-18,24-25,27,31-34,46H,5,8-9,12,15-16,19-23H2,1-3H3,(H2,42,53)(H,47,56)(H,48,55)(H,49,54)(H,51,57)(H3,43,44,45)(H2,50,52,58)/t31-,32-,33-,34-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4...				Bioorg Med Chem Lett 29: 654-658 (2019) Article DOI: 10.1016/j.bmcl.2018.12.016
					More data for this Ligand-Target Pair