BDBM50216074 (2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methyl-2-{2-[(2S)-3-phenyl-2-(pyridin-4-ylformamido)propanamido]acetamido}pentanamide::CHEMBL268659

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=AGVSTORRAXPNFD-YRCZKMHPSA-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 = 50216074   

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))	BDBM50216074 ((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,43.44,wD:32.33,(6.72,4.32,;6.72,2.78,;8.05,2.01,;5.39,2.01,;5.39,.47,;4.05,-.3,;2.72,.47,;2.72,2.02,;1.38,-.29,;.04,.47,;-1.29,-.3,;-1.29,-1.84,;-2.62,.47,;-2.62,2.01,;-1.29,2.78,;.04,2.01,;1.38,2.79,;1.37,4.33,;.04,5.09,;-1.3,4.32,;-3.95,-.3,;-5.29,.47,;-6.62,-.29,;-5.29,2.01,;-3.96,2.77,;-3.96,4.31,;-5.29,5.08,;-6.62,4.3,;-6.62,2.77,;6.72,-.3,;6.72,-1.83,;8.05,.48,;9.39,-.29,;9.39,-1.82,;10.73,-2.59,;10.73,-4.13,;12.06,-4.91,;12.06,-6.45,;10.73,-7.21,;13.39,-7.22,;10.73,.49,;10.73,2.03,;12.05,-.29,;13.39,.48,;13.39,2.03,;14.72,2.8,;16.12,2.18,;17.15,3.32,;16.38,4.66,;16.86,6.13,;15.82,7.26,;14.31,6.95,;13.84,5.48,;14.88,4.33,;14.72,-.28,;16.05,.49,;14.72,-1.82,)| Show InChI InChI=1S/C40H51N11O6/c1-24(2)19-32(48-34(52)23-47-37(55)33(20-25-9-4-3-5-10-25)51-36(54)26-14-17-44-18-15-26)39(57)49-30(13-8-16-45-40(42)43)38(56)50-31(35(41)53)21-27-22-46-29-12-7-6-11-28(27)29/h3-7,9-12,14-15,17-18,22,24,30-33,46H,8,13,16,19-21,23H2,1-2H3,(H2,41,53)(H,47,55)(H,48,52)(H,49,57)(H,50,56)(H,51,54)(H4,42,43,45)/t30-,31-,32-,33-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization				J Med Chem 50: 3222-8 (2007) Article DOI: 10.1021/jm070064l BindingDB Entry DOI: 10.7270/Q2028R81
					More data for this Ligand-Target Pair