BDBM50418044 CHEMBL1229508::US10851083, Example 4

SMILES: OC(=O)c1cnn(c1)-c1nc2cc(Cl)c(F)cc2[nH]1

InChI Key: InChIKey=VOINEICHGDKMIS-UHFFFAOYSA-N

Data: 2 IC50

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 = 50418044   

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 (aa 181-417) (Homo sapiens (Human))	BDBM50418044 (CHEMBL1229508 | US10851083, Example 4) Show SMILES OC(=O)c1cnn(c1)-c1nc2cc(Cl)c(F)cc2[nH]1 Show InChI InChI=1S/C11H6ClFN4O2/c12-6-1-8-9(2-7(6)13)16-11(15-8)17-4-5(3-14-17)10(18)19/h1-4H,(H,15,16)(H,18,19)	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The PHD2181-417 polypeptide (3 μg) was pre-incubated for 30 minutes with test compound prior to assessing the enzymatic activity of the polypept...				US Patent US10851083 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50418044 (CHEMBL1229508 | US10851083, Example 4) Show SMILES OC(=O)c1cnn(c1)-c1nc2cc(Cl)c(F)cc2[nH]1 Show InChI InChI=1S/C11H6ClFN4O2/c12-6-1-8-9(2-7(6)13)16-11(15-8)17-4-5(3-14-17)10(18)19/h1-4H,(H,15,16)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PHD2				ACS Med Chem Lett 1: 526-529 (2010) Article DOI: 10.1021/ml100198y BindingDB Entry DOI: 10.7270/Q28053VF
					More data for this Ligand-Target Pair				3D Structure (crystal)