BDBM50107618 CHEMBL3600387

SMILES: CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCC1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=VNEFVOCDBSYKOE-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 2 hits for monomerid = 50107618   

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))	BDBM50107618 (CHEMBL3600387) Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N3O5/c1-6-27-25(33)22-17(11-12-26(4,5)28-24(32)16-9-7-8-10-16)23(34-29-22)19-13-18(15(2)3)20(30)14-21(19)31/h13-16,30-31H,6-10H2,1-5H3,(H,27,33)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University of TCM Curated by ChEMBL					Assay Description Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 25: 3129-34 (2015) BindingDB Entry DOI: 10.7270/Q2959KB2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50107618 (CHEMBL3600387) Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N3O5/c1-6-27-25(33)22-17(11-12-26(4,5)28-24(32)16-9-7-8-10-16)23(34-29-22)19-13-18(15(2)3)20(30)14-21(19)31/h13-16,30-31H,6-10H2,1-5H3,(H,27,33)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University of TCM Curated by ChEMBL					Assay Description Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 25: 3129-34 (2015) BindingDB Entry DOI: 10.7270/Q2959KB2
					More data for this Ligand-Target Pair