BDBM26341 (2E)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-5-[(2S)-2-[(4-fluorophenyl)formamido]-3-phenylpropanamido]-2-(2-methylpropyl)pent-2-enamide::Peptide analogue, 21

SMILES: CC(C)C\C(=C/CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=KYBRPVZTHIQEEP-NJGSGMGMSA-N

Data: 1 IC50

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 = 26341   

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))	BDBM26341 ((2E)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...) Show SMILES CC(C)C\C(=C/CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:32.33,wD:11.19,43.44,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)| Show InChI InChI=1S/C42H52FN9O5/c1-26(2)22-29(12-8-20-47-40(56)36(23-27-10-4-3-5-11-27)52-38(54)28-16-18-31(43)19-17-28)39(55)50-34(15-9-21-48-42(45)46)41(57)51-35(37(44)53)24-30-25-49-33-14-7-6-13-32(30)33/h3-7,10-14,16-19,25-26,34-36,49H,8-9,15,20-24H2,1-2H3,(H2,44,53)(H,47,56)(H,50,55)(H,51,57)(H,52,54)(H4,45,46,48)/b29-12+/t34-,35-,36-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.3	25
Kyoto University					Assay Description Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...				J Med Chem 51: 7645-9 (2008) Article DOI: 10.1021/jm800930w BindingDB Entry DOI: 10.7270/Q2ZS2TTP
					More data for this Ligand-Target Pair