Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'hubbard' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4915 (3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H19BrN2O3/c21-11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4917 ((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12 Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB 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	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034002 (3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-benzothiaz...) Show SMILES Cc1nc2ccc(cc2s1)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H26N2OS/c1-17-24-21-9-8-20(15-23(21)27-17)22(26)10-7-18-11-13-25(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034003 (3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-1H-benzoim...) Show SMILES Cc1nc2ccc(cc2[nH]1)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O/c1-17-24-21-9-8-20(15-22(21)25-17)23(27)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4917 ((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12 Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4907 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H2,(H,20,21)(H,22,23)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4882 ((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4922 (3-(2-{[(3Z)-6-(4-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-9-6-16(7-10-18)17-8-11-21-22(27(32)29-24(21)14-17)15-25-20(12-13-26(30)31)19-4-2-3-5-23(19)28-25/h6-11,14-15,28H,2-5,12-13H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4915 (3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H19BrN2O3/c21-11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4906 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)12-5-6-16-13(9-12)14(17(21)20-16)8-11-7-10-3-1-2-4-15(10)19-11/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034000 (3-(1-Benzyl-piperidin-4-yl)-1-(2,3-dihydro-benzo[1...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C23H27NO3/c25-21(20-7-9-22-23(16-20)27-15-14-26-22)8-6-18-10-12-24(13-11-18)17-19-4-2-1-3-5-19/h1-5,7,9,16,18H,6,8,10-15,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4882 ((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034004 (3-(1-Benzyl-piperidin-4-yl)-1-(2-phenyl-1H-benzoim...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2nc([nH]c2c1)-c1ccccc1 Show InChI InChI=1S/C28H29N3O/c32-27(14-11-21-15-17-31(18-16-21)20-22-7-3-1-4-8-22)24-12-13-25-26(19-24)30-28(29-25)23-9-5-2-6-10-23/h1-10,12-13,19,21H,11,14-18,20H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4919 (3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12 Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4919 (3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12 Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4917 ((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12 Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4922 (3-(2-{[(3Z)-6-(4-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-9-6-16(7-10-18)17-8-11-21-22(27(32)29-24(21)14-17)15-25-20(12-13-26(30)31)19-4-2-3-5-23(19)28-25/h6-11,14-15,28H,2-5,12-13H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4921 (3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4920 (3-(2-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-6-4-5-16(13-18)17-9-10-21-22(27(32)29-24(21)14-17)15-25-20(11-12-26(30)31)19-7-2-3-8-23(19)28-25/h4-6,9-10,13-15,28H,2-3,7-8,11-12H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4905 ((3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylme...) Show SMILES Brc1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4906 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)12-5-6-16-13(9-12)14(17(21)20-16)8-11-7-10-3-1-2-4-15(10)19-11/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)/b14-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4921 (3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4914 (3-(2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]m...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccccc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H20N2O3/c23-19(24)10-9-14-12-5-1-3-7-16(12)21-18(14)11-15-13-6-2-4-8-17(13)22-20(15)25/h2,4,6,8,11,21H,1,3,5,7,9-10H2,(H,22,25)(H,23,24)/b15-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4920 (3-(2-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-6-4-5-16(13-18)17-9-10-21-22(27(32)29-24(21)14-17)15-25-20(11-12-26(30)31)19-7-2-3-8-23(19)28-25/h4-6,9-10,13-15,28H,2-3,7-8,11-12H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4919 (3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12 Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4907 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H2,(H,20,21)(H,22,23)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4916 (3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1 Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H2,21,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4917 ((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12 Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4906 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)12-5-6-16-13(9-12)14(17(21)20-16)8-11-7-10-3-1-2-4-15(10)19-11/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4914 (3-(2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]m...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccccc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H20N2O3/c23-19(24)10-9-14-12-5-1-3-7-16(12)21-18(14)11-15-13-6-2-4-8-17(13)22-20(15)25/h2,4,6,8,11,21H,1,3,5,7,9-10H2,(H,22,25)(H,23,24)/b15-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	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	PDB PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4915 (3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H19BrN2O3/c21-11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4914 (3-(2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]m...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccccc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H20N2O3/c23-19(24)10-9-14-12-5-1-3-7-16(12)21-18(14)11-15-13-6-2-4-8-17(13)22-20(15)25/h2,4,6,8,11,21H,1,3,5,7,9-10H2,(H,22,25)(H,23,24)/b15-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50033999 (3-(1-Benzyl-piperidin-4-yl)-1-phenyl-propan-1-one;...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C21H25NO/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4907 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H2,(H,20,21)(H,22,23)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4918 (3-(2-{[(3Z)-6-methoxy-2-oxo-2,3-dihydro-1H-indol-3...) Show SMILES COc1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C21H22N2O4/c1-27-12-6-7-15-16(21(26)23-18(15)10-12)11-19-14(8-9-20(24)25)13-4-2-3-5-17(13)22-19/h6-7,10-11,22H,2-5,8-9H2,1H3,(H,23,26)(H,24,25)/b16-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4904 ((3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethyliden...) Show SMILES O=C1Nc2ccccc2\C1=C\c1cc2CCCCc2[nH]1 Show InChI InChI=1S/C17H16N2O/c20-17-14(13-6-2-4-8-16(13)19-17)10-12-9-11-5-1-3-7-15(11)18-12/h2,4,6,8-10,18H,1,3,5,7H2,(H,19,20)/b14-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4882 ((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4916 (3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1 Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H2,21,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4920 (3-(2-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-6-4-5-16(13-18)17-9-10-21-22(27(32)29-24(21)14-17)15-25-20(11-12-26(30)31)19-7-2-3-8-23(19)28-25/h4-6,9-10,13-15,28H,2-3,7-8,11-12H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4916 (3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1 Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H2,21,27,28)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					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 InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-	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	700	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4916 (3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1 Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H2,21,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<780	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4921 (3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4921 (3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1021/jm9906116 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair

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