Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'heijbel' and Initial = 'a'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13614 (2-(carboxymethoxy)-5-[(2S)-2-(pentylcarbamoyl)-2-[...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1[nH]ncc1=S |r| Show InChI InChI=1S/C30H36N6O8S/c1-2-3-7-12-31-28(40)22(15-20-10-11-24(44-18-27(38)39)21(13-20)30(42)43)34-29(41)23(14-19-8-5-4-6-9-19)33-25(37)17-36-26(45)16-32-35-36/h4-6,8-11,13,16,22-23,35H,2-3,7,12,14-15,17-18H2,1H3,(H,31,40)(H,33,37)(H,34,41)(H,38,39)(H,42,43)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	-39.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13611 (2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	250	-37.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13609 (2-{4-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-16-31-27(37)22(18-20-10-12-21(13-11-20)43-26(29(39)40)30(41)42)33-28(38)23(17-19-8-5-4-6-9-19)32-24(34)14-15-25(35)36/h4-6,8-13,22-23,26H,2-3,7,14-18H2,1H3,(H,31,37)(H,32,34)(H,33,38)(H,35,36)(H,39,40)(H,41,42)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	-33.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13610 (2-(carboxymethoxy)-5-[(2S)-2-(3-formamidopropanoic...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C21H28N2O9/c1-2-3-4-9-22-20(29)15(23-17(24)7-8-18(25)26)11-13-5-6-16(32-12-19(27)28)14(10-13)21(30)31/h5-6,10,15H,2-4,7-9,11-12H2,1H3,(H,22,29)(H,23,24)(H,25,26)(H,27,28)(H,30,31)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13613 (2-{4-[(2S)-2-({[(1S)-1-carboxy-2-phenylethyl]carba...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	3.40E+3	-30.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13606 ((3S)-3-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C21H30N4O10S/c1-3-4-5-15(19(22)29)24-20(30)16(25-21(31)17(11-18(27)28)23-12(2)26)10-13-6-8-14(9-7-13)35-36(32,33)34/h6-9,15-17H,3-5,10-11H2,1-2H3,(H2,22,29)(H,23,26)(H,24,30)(H,25,31)(H,27,28)(H,32,33,34)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	-30.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13608 (2-{4-[(2S)-2-(3-formamidopropanoic acid)-2-(pentyl...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C21H28N2O9/c1-2-3-4-11-22-19(27)15(23-16(24)9-10-17(25)26)12-13-5-7-14(8-6-13)32-18(20(28)29)21(30)31/h5-8,15,18H,2-4,9-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)(H,30,31)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	-27.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13607 (3-{[(1S)-1-(pentylcarbamoyl)-2-[4-(sulfooxy)phenyl...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C18H26N2O8S/c1-2-3-4-11-19-18(24)15(20-16(21)9-10-17(22)23)12-13-5-7-14(8-6-13)28-29(25,26)27/h5-8,15H,2-4,9-12H2,1H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	-25.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13612 (Compound VII | methyl 2-(2-methoxy-2-oxoethoxy)-5-...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)OC)c(c1)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)OC |r| Show InChI InChI=1S/C33H43N3O10/c1-5-6-10-17-34-31(40)25(20-23-13-14-27(46-21-30(39)44-3)24(18-23)33(42)45-4)36-32(41)26(19-22-11-8-7-9-12-22)35-28(37)15-16-29(38)43-2/h7-9,11-14,18,25-26H,5-6,10,15-17,19-21H2,1-4H3,(H,34,40)(H,35,37)(H,36,41)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair