BindingDB PrimarySearch

null

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1

InChI Key: InChIKey=XFEKSSMJINNJSX-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50138153
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
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 6His-TEV-Avi-MINK1(1 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 min...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK in HEK293 cells co-transfected with full length SMAD1 incubated for 2 hrs by ELISA				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length MAP4K4(1-1239)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubat...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 6His-TEV-TNIK(1 to 325) expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK(1-1360)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubated...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 6His-TEV-SHM-MAP4K4(2 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mi...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length MINK1(1-1332)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubate...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK in HEK293 cells co-transfected with full length SMAD1 incubated for 2 hrs by ELISA				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)