BindingDB PrimarySearch

null

SMILES: Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1

InChI Key: InChIKey=RATFAFAWIWHLMR-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50308158
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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 Src homology-2 domain expressed in Escherichia coli BL21 (DE3) assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH ...				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02008 BindingDB Entry DOI: 10.7270/Q2X92G9P
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway 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	1.43E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of HePTP expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Lyp expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FAP1 expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CD45 expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of LAR expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of PTPalpha expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of VHR expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.11E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of LMWPTP expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 Src homology-2 domain expressed in Escherichia coli BL21 (DE3) assessed as inhibition of p-nitrophenyl phosphate hydrolysis by Lin...				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein phosphatase CDC14A (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Cdc14A expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP2 expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
Indiana University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human 6his-tagged SHP2 (2 to 593 residues) expressed in Escherichia coli BL21 Star (DE3) cells preincubated with IRS1_pY1172(dPEG8)pY12...				J Med Chem 59: 7773-82 (2016) Article DOI: 10.1021/acs.jmedchem.6b00680 BindingDB Entry DOI: 10.7270/Q2JQ14J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 20 uM DiFMUP by DiFMUP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01265 BindingDB Entry DOI: 10.7270/Q24171QP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01265 BindingDB Entry DOI: 10.7270/Q24171QP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50308158 (3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP1 expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry				J Med Chem 53: 2482-93 (2010) Article DOI: 10.1021/jm901645u BindingDB Entry DOI: 10.7270/Q2639PVD
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair