BindingDB PrimarySearch

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50011291
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448118 (CHEMBL3122113 \| US10590114, No. 80 \| US11111235, N...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LRRK2 G2019S mutant (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398668 (CHEMBL2178134 \| US8802674, 256) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LRRK2 G2019S mutant (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50432188 (CHEMBL2346976) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length androgen receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50432188 (CHEMBL2346976) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of androgen receptor LBD domain (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system usi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aurora A (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50234898 (CHEMBL4068357 \| D3RKN_91) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human JAK3 using FITC-KGGEEEEYFELVKK as substrate by caliper microfluidic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50546198 (CHEMBL4795171) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BCOR peptide binding to BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50546197 (CHEMBL4755229) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BCOR peptide binding to BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1 \| US11370796, Compound L...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-LRRK2 (1326 to 2527 residues) G2019S mutant (unknown origin) expressed in HEK293 cells incubated for 15 mins by cerenkov counting m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50234898 (CHEMBL4068357 \| D3RKN_91) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human JAK2 using FITC-KGGEEEEYFELVKK as substrate by caliper microfluidic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50234898 (CHEMBL4068357 \| D3RKN_91) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human JAK1 using 5FAM-KKSRGDYMTMQID as substrate by caliper microfluidic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50234898 (CHEMBL4068357 \| D3RKN_91) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TYK2 using 5FAM-KKSRGDYMTMQID as substrate by caliper microfluidic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50432188 (CHEMBL2346976) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of androgen receptor degradation in human LNCaP cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50546199 (CHEMBL4751268) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli BL21(DE3) cells using 5-...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50546196 (CHEBI:47922 \| CHEMBL2048500) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to c-IAP1-BIR3 (unknown origin) (124 to 240 residues) expressed in Escherichia coli BL21-Gold (DE3) by surface plasmon resonance ass...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50546196 (CHEBI:47922 \| CHEMBL2048500) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to XIAP-BIR3 (unknown origin) (124 to 240 residues) expressed in Escherichia coli BL21-Gold (DE3) by surface plasmon resonance assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529667 (CHEMBL4444904 \| US10806720, Compound 11 \| US112305...) 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	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of androgen receptor AF1 domain (141 to 486 residues) (unknown origin) incubated for 30 mins by steady-state fluorescence emission spectro...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50546194 (CHEMBL4755961) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to EZH2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50546195 (CHEMBL4777537) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to EZH2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
TBA					More data for this Ligand-Target Pair