BindingDB PrimarySearch

BDBM118339 US8653111, 72

SMILES: O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1

InChI Key: InChIKey=IJMBOKOTALXLKS-UHFFFAOYSA-N

Data: 1 KI 10 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 118339
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prolyl 4-hydroxylase (Paramecium bursaria Chlorella virus 1)	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PHD2 (unknown origin) using biotinylated HIF-1alpha (558 to 574 residues) as substrate after 1 hr by homogeneous time-resolved fluoresc...				ACS Med Chem Lett 6: 1236-40 (2015) BindingDB Entry DOI: 10.7270/Q2RB76G9
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	876	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of FITC-HIF-1alpha (556 to 574 residues) from PHD2 (181 to 426 residues) (unknown origin) after 60 mins by fluorescence polarization ass...				ACS Med Chem Lett 6: 1236-40 (2015) BindingDB Entry DOI: 10.7270/Q2RB76G9
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 2 (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Cadila Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of PHD1 (unknown origin)				J Med Chem 61: 6964-6982 (2018) Article DOI: 10.1021/acs.jmedchem.7b01686 BindingDB Entry DOI: 10.7270/Q2H70JC7
Cadila Healthcare Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Cadila Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincuba...				J Med Chem 61: 6964-6982 (2018) Article DOI: 10.1021/acs.jmedchem.7b01686 BindingDB Entry DOI: 10.7270/Q2H70JC7
Cadila Healthcare Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Prolyl 4-hydroxylase (Paramecium bursaria Chlorella virus 1)	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant human PHD2 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asc...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH) (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asco...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl 3-hydroxylase OGFOD1 (Homo sapiens)	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant human OGFOD1 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-a...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 2 (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...				US Patent US8653111 (2014) BindingDB Entry DOI: 10.7270/Q2GH9GMD
Bayer Intellectual Property GmbH US Patent					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN3 (Homo sapiens (Human))	BDBM118339 (US8653111, 72) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Cadila Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...				J Med Chem 61: 6964-6982 (2018) Article DOI: 10.1021/acs.jmedchem.7b01686 BindingDB Entry DOI: 10.7270/Q2H70JC7
Cadila Healthcare Limited Curated by ChEMBL					More data for this Ligand-Target Pair