BDBM50379853 CHEMBL2011854

SMILES: Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1

InChI Key: InChIKey=CMSOUOVTKNTIQH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50379853   

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-beta (Homo sapiens (Human))	BDBM50379853 (CHEMBL2011854) Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA				Bioorg Med Chem Lett 22: 2550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50379853 (CHEMBL2011854) Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90-mediated pS6 phosphorylation in human A375 cells after 24 hrs by TRITC assay				Bioorg Med Chem Lett 22: 2550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50379853 (CHEMBL2011854) Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90-mediated Erk phosphorylation in human AU565 cells after 24 hrs by TRITC assay				Bioorg Med Chem Lett 22: 2550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50379853 (CHEMBL2011854) Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90 in human A375 cells assessed as induction of HSP70 synthesis after 24 hrs by TRITC assay				Bioorg Med Chem Lett 22: 2550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB
					More data for this Ligand-Target Pair