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=CCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1

InChI Key: InChIKey=HKDVGHJESXJYOB-YXWNFPKCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50098115   

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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50098115 (CHEMBL262054 | 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=CCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28| Show InChI InChI=1S/C46H60N4O12/c1-27-21-33-41(48-15-8-7-9-18-60-31-13-14-32-35(51)26-40(61-38(32)24-31)50-16-19-59-20-17-50)36(52)25-34(43(33)54)49-45(55)28(2)11-10-12-37(57-5)44(62-46(47)56)30(4)23-29(3)42(53)39(22-27)58-6/h10-15,23-27,29,37,39,42,44,52-54H,7-9,16-22H2,1-6H3,(H2,47,56)(H,49,55)/b12-10?,28-11?,30-23+,48-15?/t27-,29+,37+,39+,42-,44+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+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 with hsp90 alpha protein				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))	BDBM50098115 (CHEMBL262054 | 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=CCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28| Show InChI InChI=1S/C46H60N4O12/c1-27-21-33-41(48-15-8-7-9-18-60-31-13-14-32-35(51)26-40(61-38(32)24-31)50-16-19-59-20-17-50)36(52)25-34(43(33)54)49-45(55)28(2)11-10-12-37(57-5)44(62-46(47)56)30(4)23-29(3)42(53)39(22-27)58-6/h10-15,23-27,29,37,39,42,44,52-54H,7-9,16-22H2,1-6H3,(H2,47,56)(H,49,55)/b12-10?,28-11?,30-23+,48-15?/t27-,29+,37+,39+,42-,44+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50098115 (CHEMBL262054 | 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=CCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28| Show InChI InChI=1S/C46H60N4O12/c1-27-21-33-41(48-15-8-7-9-18-60-31-13-14-32-35(51)26-40(61-38(32)24-31)50-16-19-59-20-17-50)36(52)25-34(43(33)54)49-45(55)28(2)11-10-12-37(57-5)44(62-46(47)56)30(4)23-29(3)42(53)39(22-27)58-6/h10-15,23-27,29,37,39,42,44,52-54H,7-9,16-22H2,1-6H3,(H2,47,56)(H,49,55)/b12-10?,28-11?,30-23+,48-15?/t27-,29+,37+,39+,42-,44+/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	2.50E+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