BDBM50485832 CHEMBL2170487

SMILES: C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1

InChI Key: InChIKey=VJSOUGMQBHUKBW-ZDUSSCGKSA-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 = 50485832   

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))	BDBM50485832 (CHEMBL2170487) Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1 |r| Show InChI InChI=1S/C23H27BrN6O4S/c1-13(31)22(32)29-5-2-14(3-6-29)4-7-30-21-19(20(25)26-12-27-21)28-23(30)35-18-11-17-16(10-15(18)24)33-8-9-34-17/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50485832 (CHEMBL2170487) Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1 |r| Show InChI InChI=1S/C23H27BrN6O4S/c1-13(31)22(32)29-5-2-14(3-6-29)4-7-30-21-19(20(25)26-12-27-21)28-23(30)35-18-11-17-16(10-15(18)24)33-8-9-34-17/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair