BindingDB PrimarySearch

null

SMILES: CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50583520
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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of human full length N-terminal GST-fused MPS1 (1 to 857 residues) assessed as inhibition constant by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAPKAPK2 expressed in Sf9 insect cells using [KKLNRTLSVA] as substrate in presence of [33P]-ATP by radiometric hotspo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 3 (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAPKAPK3 expressed in Sf9 insect cells using [KKLNRTLSVA] as substrate in presence of [33P]-ATP by radiometric hotspo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-2 (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant P70S6Kbeta expressed in Sf9 insect cells using [KKRNRTLTK] as substrate in presence of [33P]-ATP by radiometric hotsp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured immediately in prese...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured after 1 hr in presen...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured after 2 hrs in prese...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured after 4 hrs in prese...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 4 (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant FGFR4 expressed in Sf9 insect cells using poly[Glu:Tyr] 4:1 as substrate in presence of [33P]-ATP by radiometric hots...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of tracer K9 from NanoLuc-fused MPS1 (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
TBA					More data for this Ligand-Target Pair