BDBM50486035 CHEMBL2204498

SMILES: CC(C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O

InChI Key: InChIKey=MHCHQLLIJOQVGL-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 = 50486035   

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 90 (Hsp90) (Homo sapiens (Human))	BDBM50486035 (CHEMBL2204498) Show SMILES CC(C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:18:17:13.14:11.10.16,9:10:13.14:17| Show InChI InChI=1S/C28H35N5O3/c1-15(2)31-24-13-22(16(3)10-23(24)27(29)35)28(36)32-19-11-20-7-8-21(12-19)33(20)25-9-6-18(14-30-25)26(34)17-4-5-17/h6,9-10,13-15,17,19-21,31H,4-5,7-8,11-12H2,1-3H3,(H2,29,35)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Inc Curated by ChEMBL					Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay				Bioorg Med Chem Lett 22: 5396-404 (2012) Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50486035 (CHEMBL2204498) Show SMILES CC(C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:18:17:13.14:11.10.16,9:10:13.14:17| Show InChI InChI=1S/C28H35N5O3/c1-15(2)31-24-13-22(16(3)10-23(24)27(29)35)28(36)32-19-11-20-7-8-21(12-19)33(20)25-9-6-18(14-30-25)26(34)17-4-5-17/h6,9-10,13-15,17,19-21,31H,4-5,7-8,11-12H2,1-3H3,(H2,29,35)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human NCI-N87 cells assessed as Her2 degradation after 24 hrs by Western blot analysis				Bioorg Med Chem Lett 22: 5396-404 (2012) Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK
					More data for this Ligand-Target Pair