Affinity Data by PDB ID

PDB code 1Q6T

Identical Ligands in BindingDB

Found 11 hits Enzyme Inhibition Constant Data
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
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.3	22
Merck Research Laboratories					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				Biochemistry 42: 11451-9 (2003) Article DOI: 10.1021/bi035098j BindingDB Entry DOI: 10.7270/Q2HX19XS
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of flag-tagged PTP1B (1 to 321 residues) (unknown origin) expressed in bacterial expression system by UV/Vis spectrophotometry				Bioorg Med Chem 24: 3343-52 (2016) Article DOI: 10.1016/j.bmc.2016.06.035 BindingDB Entry DOI: 10.7270/Q20Z756P
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				J Med Chem 58: 9063-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00586 BindingDB Entry DOI: 10.7270/Q24T6NC6
Stony Brook University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM13604 (6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (crystal)

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Search BindingMOAD for More Affinity Data:

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output