BDBM50357454 CHEMBL1917878

SMILES: O=C(N[C@@H]1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccnc2[nH]ccc12

InChI Key: InChIKey=UIRMQSUQFQMQHL-XMMPIXPASA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50357454   

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))	BDBM50357454 (CHEMBL1917878) Show SMILES O=C(N[C@@H]1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccnc2[nH]ccc12 |r| Show InChI InChI=1S/C27H18N6O/c34-27(18-9-13-30-25-17(18)8-12-29-25)33-24-16-5-2-1-4-15(16)23-19(24)6-3-7-20(23)26-31-21-10-11-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357454 (CHEMBL1917878) Show SMILES O=C(N[C@@H]1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccnc2[nH]ccc12 |r| Show InChI InChI=1S/C27H18N6O/c34-27(18-9-13-30-25-17(18)8-12-29-25)33-24-16-5-2-1-4-15(16)23-19(24)6-3-7-20(23)26-31-21-10-11-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Binding affinity to human Hsp90beta after overnight incubation by fluorescence polarization assay				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)