null

SMILES: O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50569290   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50569290 (CHEMBL4871517) Show SMILES O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:33.34,1.0,wD:28.30,(31.17,-6.07,;32.5,-6.84,;33.84,-6.06,;35.17,-6.83,;36.5,-6.05,;37.84,-6.82,;39.17,-6.05,;40.51,-6.81,;41.84,-6.04,;41.83,-4.5,;43.17,-6.8,;43.18,-8.34,;44.51,-9.11,;45.84,-8.33,;47.18,-9.1,;48.51,-8.32,;49.85,-9.08,;49.85,-10.62,;51.19,-11.38,;52.52,-10.61,;52.51,-9.06,;51.17,-8.3,;53.84,-8.28,;55.17,-9.04,;56.51,-8.27,;56.5,-6.72,;55.16,-5.96,;53.84,-6.74,;57.83,-5.94,;59.17,-6.7,;60.5,-5.92,;60.49,-4.38,;61.84,-6.69,;63.17,-5.91,;63.15,-4.38,;64.49,-3.61,;65.83,-4.37,;65.83,-5.91,;64.5,-6.68,;65.2,-5.33,;63.71,-4.93,;57.82,-4.4,;59.15,-3.63,;59.15,-2.09,;57.81,-1.33,;56.47,-2.11,;56.49,-3.65,;45.83,-6.78,;44.5,-6.02,;32.51,-8.38,;31.18,-9.15,;31.18,-10.69,;32.51,-11.46,;32.51,-13,;33.84,-10.69,;35.17,-11.46,;36.51,-10.69,;37.85,-11.46,;36.52,-9.14,;35.18,-8.36,;33.84,-9.14,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50569290 (CHEMBL4871517) Show SMILES O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:33.34,1.0,wD:28.30,(31.17,-6.07,;32.5,-6.84,;33.84,-6.06,;35.17,-6.83,;36.5,-6.05,;37.84,-6.82,;39.17,-6.05,;40.51,-6.81,;41.84,-6.04,;41.83,-4.5,;43.17,-6.8,;43.18,-8.34,;44.51,-9.11,;45.84,-8.33,;47.18,-9.1,;48.51,-8.32,;49.85,-9.08,;49.85,-10.62,;51.19,-11.38,;52.52,-10.61,;52.51,-9.06,;51.17,-8.3,;53.84,-8.28,;55.17,-9.04,;56.51,-8.27,;56.5,-6.72,;55.16,-5.96,;53.84,-6.74,;57.83,-5.94,;59.17,-6.7,;60.5,-5.92,;60.49,-4.38,;61.84,-6.69,;63.17,-5.91,;63.15,-4.38,;64.49,-3.61,;65.83,-4.37,;65.83,-5.91,;64.5,-6.68,;65.2,-5.33,;63.71,-4.93,;57.82,-4.4,;59.15,-3.63,;59.15,-2.09,;57.81,-1.33,;56.47,-2.11,;56.49,-3.65,;45.83,-6.78,;44.5,-6.02,;32.51,-8.38,;31.18,-9.15,;31.18,-10.69,;32.51,-11.46,;32.51,-13,;33.84,-10.69,;35.17,-11.46,;36.51,-10.69,;37.85,-11.46,;36.52,-9.14,;35.18,-8.36,;33.84,-9.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair