BDBM50003905 CHEMBL3235327

SMILES: CC1(C)Cc2c(C(=O)C1)c1ccncc1n2-c1ccc(cc1)C(N)=O

InChI Key: InChIKey=AUSDCBVXEDICDC-UHFFFAOYSA-N

Data: 4 KI

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 = 50003905   

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
Endoplasmin (Homo sapiens (Human))	BDBM50003905 (CHEMBL3235327) Show SMILES CC1(C)Cc2c(C(=O)C1)c1ccncc1n2-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C20H19N3O2/c1-20(2)9-15-18(17(24)10-20)14-7-8-22-11-16(14)23(15)13-5-3-12(4-6-13)19(21)25/h3-8,11H,9-10H2,1-2H3,(H2,21,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of FITC-geldanamycin from recombinant GRP94 (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50003905 (CHEMBL3235327) Show SMILES CC1(C)Cc2c(C(=O)C1)c1ccncc1n2-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C20H19N3O2/c1-20(2)9-15-18(17(24)10-20)14-7-8-22-11-16(14)23(15)13-5-3-12(4-6-13)19(21)25/h3-8,11H,9-10H2,1-2H3,(H2,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50003905 (CHEMBL3235327) Show SMILES CC1(C)Cc2c(C(=O)C1)c1ccncc1n2-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C20H19N3O2/c1-20(2)9-15-18(17(24)10-20)14-7-8-22-11-16(14)23(15)13-5-3-12(4-6-13)19(21)25/h3-8,11H,9-10H2,1-2H3,(H2,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of FITC-geldanamycin from recombinant HSP90alpha (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50003905 (CHEMBL3235327) Show SMILES CC1(C)Cc2c(C(=O)C1)c1ccncc1n2-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C20H19N3O2/c1-20(2)9-15-18(17(24)10-20)14-7-8-22-11-16(14)23(15)13-5-3-12(4-6-13)19(21)25/h3-8,11H,9-10H2,1-2H3,(H2,21,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of FITC-geldanamycin from recombinant TRAP1 (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG
					More data for this Ligand-Target Pair