BDBM50540240 CHEMBL4647894

SMILES: COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=BPRVTQGQMQJYBZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50540240   

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))	BDBM50540240 (CHEMBL4647894) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H32N4O4/c1-17(2)20-13-21(23(32)14-22(20)31)25-26(30(28-27-25)16-24(33)34-3)19-9-7-18(8-10-19)15-29-11-5-4-6-12-29/h7-10,13-14,17,31-32H,4-6,11-12,15-16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540240 (CHEMBL4647894) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H32N4O4/c1-17(2)20-13-21(23(32)14-22(20)31)25-26(30(28-27-25)16-24(33)34-3)19-9-7-18(8-10-19)15-29-11-5-4-6-12-29/h7-10,13-14,17,31-32H,4-6,11-12,15-16H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50540240 (CHEMBL4647894) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H32N4O4/c1-17(2)20-13-21(23(32)14-22(20)31)25-26(30(28-27-25)16-24(33)34-3)19-9-7-18(8-10-19)15-29-11-5-4-6-12-29/h7-10,13-14,17,31-32H,4-6,11-12,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of TRAP1 (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair