BindingDB PrimarySearch

BDBM50352564 CHEMBL1825141

SMILES: C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl

InChI Key: InChIKey=KTEIFNKAUNYNJU-LBPRGKRZSA-N

Data: 1 KI 6 IC50 2 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50352564
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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay				J Med Chem 54: 6342-63 (2011) Article DOI: 10.1021/jm2007613 BindingDB Entry DOI: 10.7270/Q2Q52Q09
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
MutT homolog 1 protein (MTH1) (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of His-tagged human MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate preincubated with protein followed by subs...				Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to ALK (unknown origin)				Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
7,8-dihydro-8-oxoguanine triphosphatase (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to MET (unknown origin)				Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
7,8-dihydro-8-oxoguanine triphosphatase (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...				Eur J Med Chem 167: 153-160 (2019) Article DOI: 10.1016/j.ejmech.2019.02.011
University of Toyama Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
7,8-dihydro-8-oxoguanine triphosphatase (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	366	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MutT homolog 1 protein (MTH1) (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant human MTH1 expressed in Escherichia coli BL21 DE3 cells preincubated for 15 mins followed by 8-oxo-dGTP substrate addition ...				J Med Chem 59: 2343-5 (2016) BindingDB Entry DOI: 10.7270/Q2VX0JDP
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MutT homolog 1 protein (MTH1) (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of His-tagged human MTH1 expressed in Escherichia coli BL21 (DE3) using 2-OH-dATP as substrate preincubated with protein followed by subst...				Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)