null

SMILES: CCNC(=O)c1noc(c1-c1ccccc1CNCCN1CCOCC1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=NTNNMMONHHOHTK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 265212   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265212 (US10413550, Example 41k | US11234987, Example 41k ...) Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CNCCN1CCOCC1)-c1cc(Cl)c(O)cc1O |(4.82,-6.36,;4.05,-5.03,;2.51,-5.03,;1.74,-3.7,;2.51,-2.36,;.2,-3.7,;-.7,-4.94,;-2.16,-4.47,;-2.16,-2.93,;-.7,-2.45,;-.3,-.96,;-1.39,.13,;-.99,1.61,;.5,2.01,;1.58,.92,;1.19,-.57,;2.52,-1.34,;3.85,-.57,;3.85,.97,;5.19,1.74,;5.19,3.28,;6.52,4.05,;6.52,5.59,;5.19,6.36,;3.85,5.59,;3.85,4.05,;-3.25,-1.84,;-2.86,-.35,;-3.94,.74,;-3.55,2.23,;-5.43,.34,;-6.52,1.43,;-5.83,-1.15,;-4.74,-2.24,;-5.14,-3.72,)| Show InChI InChI=1S/C25H29ClN4O5/c1-2-28-25(33)23-22(24(35-29-23)18-13-19(26)21(32)14-20(18)31)17-6-4-3-5-16(17)15-27-7-8-30-9-11-34-12-10-30/h3-6,13-14,27,31-32H,2,7-12,15H2,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM265212 (US10413550, Example 41k | US11234987, Example 41k ...) Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CNCCN1CCOCC1)-c1cc(Cl)c(O)cc1O |(4.82,-6.36,;4.05,-5.03,;2.51,-5.03,;1.74,-3.7,;2.51,-2.36,;.2,-3.7,;-.7,-4.94,;-2.16,-4.47,;-2.16,-2.93,;-.7,-2.45,;-.3,-.96,;-1.39,.13,;-.99,1.61,;.5,2.01,;1.58,.92,;1.19,-.57,;2.52,-1.34,;3.85,-.57,;3.85,.97,;5.19,1.74,;5.19,3.28,;6.52,4.05,;6.52,5.59,;5.19,6.36,;3.85,5.59,;3.85,4.05,;-3.25,-1.84,;-2.86,-.35,;-3.94,.74,;-3.55,2.23,;-5.43,.34,;-6.52,1.43,;-5.83,-1.15,;-4.74,-2.24,;-5.14,-3.72,)| Show InChI InChI=1S/C25H29ClN4O5/c1-2-28-25(33)23-22(24(35-29-23)18-13-19(26)21(32)14-20(18)31)17-6-4-3-5-16(17)15-27-7-8-30-9-11-34-12-10-30/h3-6,13-14,27,31-32H,2,7-12,15H2,1H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta (Homo sapiens (Human)-Alligator mississippiensis (A...)	BDBM265212 (US10413550, Example 41k | US11234987, Example 41k ...) Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CNCCN1CCOCC1)-c1cc(Cl)c(O)cc1O |(4.82,-6.36,;4.05,-5.03,;2.51,-5.03,;1.74,-3.7,;2.51,-2.36,;.2,-3.7,;-.7,-4.94,;-2.16,-4.47,;-2.16,-2.93,;-.7,-2.45,;-.3,-.96,;-1.39,.13,;-.99,1.61,;.5,2.01,;1.58,.92,;1.19,-.57,;2.52,-1.34,;3.85,-.57,;3.85,.97,;5.19,1.74,;5.19,3.28,;6.52,4.05,;6.52,5.59,;5.19,6.36,;3.85,5.59,;3.85,4.05,;-3.25,-1.84,;-2.86,-.35,;-3.94,.74,;-3.55,2.23,;-5.43,.34,;-6.52,1.43,;-5.83,-1.15,;-4.74,-2.24,;-5.14,-3.72,)| Show InChI InChI=1S/C25H29ClN4O5/c1-2-28-25(33)23-22(24(35-29-23)18-13-19(26)21(32)14-20(18)31)17-6-4-3-5-16(17)15-27-7-8-30-9-11-34-12-10-30/h3-6,13-14,27,31-32H,2,7-12,15H2,1H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research US Patent					Assay Description (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...				US Patent US10413550 (2019) BindingDB Entry DOI: 10.7270/Q2C82CP2
					More data for this Ligand-Target Pair