null

SMILES: CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC#Cc1cccc2c1oc(cc2=O)N1CCOCC1

InChI Key: InChIKey=QPCMKXFCZRVSPS-FZWOYGPZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098117   

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))	BDBM50098117 (CHEMBL366754 | Carbamic acid 13-hydroxy-8,14-dimet...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC#Cc1cccc2c1oc(cc2=O)N1CCOCC1 |w:39.41,16.16,t:28| Show InChI InChI=1S/C44H52N4O11/c1-25-20-31-38(46-15-9-12-29-11-8-13-30-33(49)24-37(58-42(29)30)48-16-18-57-19-17-48)34(50)23-32(40(31)52)47-43(53)26(2)10-7-14-35(55-5)41(59-44(45)54)28(4)22-27(3)39(51)36(21-25)56-6/h7-8,10-11,13-15,22-25,27,35-36,39,41,50-52H,16-21H2,1-6H3,(H2,45,54)(H,47,53)/b14-7?,26-10?,28-22+,46-15?/t25-,27+,35+,36+,39-,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Department of Molecular Oncogenesis Curated by ChEMBL					Assay Description Competitive binding towards Heat shock protein HSP 90-alpha				Bioorg Med Chem Lett 11: 909-13 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HJX
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50098117 (CHEMBL366754 | Carbamic acid 13-hydroxy-8,14-dimet...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC#Cc1cccc2c1oc(cc2=O)N1CCOCC1 |w:39.41,16.16,t:28| Show InChI InChI=1S/C44H52N4O11/c1-25-20-31-38(46-15-9-12-29-11-8-13-30-33(49)24-37(58-42(29)30)48-16-18-57-19-17-48)34(50)23-32(40(31)52)47-43(53)26(2)10-7-14-35(55-5)41(59-44(45)54)28(4)22-27(3)39(51)36(21-25)56-6/h7-8,10-11,13-15,22-25,27,35-36,39,41,50-52H,16-21H2,1-6H3,(H2,45,54)(H,47,53)/b14-7?,26-10?,28-22+,46-15?/t25-,27+,35+,36+,39-,41+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Molecular Oncogenesis Curated by ChEMBL					Assay Description Inhibition of DNA dependent protein kinase activity without hsp90 alpha protein				Bioorg Med Chem Lett 11: 909-13 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HJX
					More data for this Ligand-Target Pair