BDBM50446891 CHEMBL3115314::US10246442, Example 61::US10975062, Example 61

SMILES: OC(=O)c1cnn(c1)-c1nc(N2CCCC2)c2cc(Oc3ccc(Cl)cc3)ccc2n1

InChI Key: InChIKey=YEHGRYMGRBBRMA-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 = 50446891   

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
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50446891 (CHEMBL3115314 | US10246442, Example 61 | US1097506...) Show SMILES OC(=O)c1cnn(c1)-c1nc(N2CCCC2)c2cc(Oc3ccc(Cl)cc3)ccc2n1 Show InChI InChI=1S/C22H18ClN5O3/c23-15-3-5-16(6-4-15)31-17-7-8-19-18(11-17)20(27-9-1-2-10-27)26-22(25-19)28-13-14(12-24-28)21(29)30/h3-8,11-13H,1-2,9-10H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of PHD2 (181 to 417) (unknown origin) using HIF-1alpha peptide as substrate assessed as 2-Oxoglutarate conversion to succinic acid preincu...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair
Egl nine homolog 1 (aa 181-417) (Homo sapiens (Human))	BDBM50446891 (CHEMBL3115314 | US10246442, Example 61 | US1097506...) Show SMILES OC(=O)c1cnn(c1)-c1nc(N2CCCC2)c2cc(Oc3ccc(Cl)cc3)ccc2n1 Show InChI InChI=1S/C22H18ClN5O3/c23-15-3-5-16(6-4-15)31-17-7-8-19-18(11-17)20(27-9-1-2-10-27)26-22(25-19)28-13-14(12-24-28)21(29)30/h3-8,11-13H,1-2,9-10H2,(H,29,30)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The PHD enzymatic assay was performed in 0.5 ml of reaction mixture containing the following: purified PHD2181-417 polypeptide (3 μg), synthetic...				US Patent US10975062 (2021)
					More data for this Ligand-Target Pair
HIF-1alpha-PHD2 (Homo sapiens (Human))	BDBM50446891 (CHEMBL3115314 | US10246442, Example 61 | US1097506...) Show SMILES OC(=O)c1cnn(c1)-c1nc(N2CCCC2)c2cc(Oc3ccc(Cl)cc3)ccc2n1 Show InChI InChI=1S/C22H18ClN5O3/c23-15-3-5-16(6-4-15)31-17-7-8-19-18(11-17)20(27-9-1-2-10-27)26-22(25-19)28-13-14(12-24-28)21(29)30/h3-8,11-13H,1-2,9-10H2,(H,29,30)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The PHD enzymatic assay was performed in 0.5 ml of reaction mixture containing the following: purified PHD2181-417 polypeptide (3 μg), synthetic...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2S46V9S
					More data for this Ligand-Target Pair