BDBM40838 7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-ylamino)methyl]-2-methyl-quinolin-8-ol::7-[(4-hydroxy-3,5-dimethoxy-phenyl)-(2-pyridylamino)methyl]-2-methyl-quinolin-8-ol::7-[(4-hydroxy-3,5-dimethoxyphenyl)(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol::7-[(4-hydroxy-3,5-dimethoxyphenyl)-(2-pyridinylamino)methyl]-2-methyl-8-quinolinol::7-[(4-hydroxy-3,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol::MLS000043303::SMR000019923::cid_3236321

SMILES: COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O

InChI Key: InChIKey=JIJUNVBLNUUGJC-UHFFFAOYSA-N

Data: 6 IC50  2 EC50

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 8 hits for monomerid = 40838   

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
Complement C1s (Homo sapiens (Human))	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2MP51PC
					More data for this Ligand-Target Pair
Eph receptor A4 (Mus musculus)	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2P55KW4
					More data for this Ligand-Target Pair
Eph receptor A4 (Mus musculus)	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.22E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26M358G
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM40838 (7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	786	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair