BindingDB PrimarySearch

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50039112
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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 \| CHEMBL29197 \| N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18795 ((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Homo sapiens (Human))	BDBM50314077 (5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...) 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 Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SF539 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50185084 (2-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydrobenzo...) Show SMILES COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM17747 ((3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-...) Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 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 Patents Similars	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SF539 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314077 (5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4810 ((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...) Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 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	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM4621 (Anilinoquinazoline deriv. 4 \| CHEMBL150315 \| N-(4-...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR1 in human A498 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50314077 (5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...) 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 Patents Similars	Article PubMed	n/a	n/a	>3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50314077 (5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50314077 (5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...) 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 Patents Similars	Article PubMed	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SF539 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50314077 (5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...) 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 Patents Similars	Article PubMed	n/a	n/a	5.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR1 in human A498 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50314077 (5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR1 in human A498 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)