BDBM265140 US10413550, Example 50::US9718793, 50

SMILES: CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=NFBABVFZEFGAIW-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 265140   

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))	BDBM265140 (US10413550, Example 50 | US11234987, Example 50 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H28ClN3O5/c1-2-27-25(33)23-22(24(34-28-23)18-11-19(26)21(32)12-20(18)31)17-5-3-15(4-6-17)13-29-9-7-16(14-30)8-10-29/h3-6,11-12,16,30-32H,2,7-10,13-14H2,1H3,(H,27,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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)	BDBM265140 (US10413550, Example 50 | US11234987, Example 50 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H28ClN3O5/c1-2-27-25(33)23-22(24(34-28-23)18-11-19(26)21(32)12-20(18)31)17-5-3-15(4-6-17)13-29-9-7-16(14-30)8-10-29/h3-6,11-12,16,30-32H,2,7-10,13-14H2,1H3,(H,27,33)	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 HSP 90-alpha/Heat shock protein HSP 90-beta/Heat shock protein, mitochondrial (Homo sapiens (Human)-Alligator mississippiensis (A...)	BDBM265140 (US10413550, Example 50 | US11234987, Example 50 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H28ClN3O5/c1-2-27-25(33)23-22(24(34-28-23)18-11-19(26)21(32)12-20(18)31)17-5-3-15(4-6-17)13-29-9-7-16(14-30)8-10-29/h3-6,11-12,16,30-32H,2,7-10,13-14H2,1H3,(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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