Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'severin' and Initial = 'jm'   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81731 (HSP90 Inhibitor, 5) Show SMILES Nc1nc(Cl)cc(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C10H6Cl3N3/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	60	-41.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81730 (HSP90 Inhibitor, 4) Show SMILES Cc1cc(nc(N)n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	170	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81729 (HSP90 Inhibitor, 1 | hsp90_125) Show SMILES Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	320	-37.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81732 (HSP90 Inhibitor, 6) Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1 |w:14.13| Show InChI InChI=1S/C17H19N5O4S/c1-11-8-14(22-17(18)21-11)10-20-27(24,25)15-4-2-13(3-5-15)19-9-12-6-7-26-16(12)23/h2-5,8-9,19-20H,6-7,10H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81733 (HSP90 Inhibitor, 7) Show SMILES Cc1cc(C=Cc2ccccc2\C=N\N2CCOC2=O)nc(N)n1 Show InChI InChI=1S/C17H17N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-7,10-11H,8-9H2,1H3,(H2,18,20,21)/b7-6?,19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	-30.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50270588 (4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...) Show SMILES Cc1cc(nc(N)n1)C(F)(F)F Show InChI InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	1.80E+4	-27.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Rattus norvegicus (rat))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Rattus norvegicus (rat))	BDBM14494 (6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1 Show InChI InChI=1S/C24H25N5O/c25-24-21(8-4-7-19-5-2-1-3-6-19)22(27-18-28-24)11-9-20-10-12-23(26-17-20)29-13-15-30-16-14-29/h1-3,5-6,10,12,17-18H,4,7-8,13-16H2,(H2,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14491 (5-(2H-1,3-benzodioxol-5-yl)-6-{2-[4-(dimethylamino...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2/c1-25(2)16-7-3-14(4-8-16)5-9-17-20(21(22)24-12-23-17)15-6-10-18-19(11-15)27-13-26-18/h3-4,6-8,10-12H,13H2,1-2H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14489 (6-{2-[4-(dimethylamino)phenyl]ethynyl}-5-phenylpyr...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-24(2)17-11-8-15(9-12-17)10-13-18-19(20(21)23-14-22-18)16-6-4-3-5-7-16/h3-9,11-12,14H,1-2H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14493 (5-benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethy...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1ccccc1 Show InChI InChI=1S/C22H21N5O/c23-22-19(14-17-4-2-1-3-5-17)20(25-16-26-22)8-6-18-7-9-21(24-15-18)27-10-12-28-13-11-27/h1-5,7,9,15-16H,10-14H2,(H2,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14488 (5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-y...) Show SMILES CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Rattus norvegicus (rat))	BDBM14492 (6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrim...) Show SMILES Nc1cc(ncn1)C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C15H15N5O/c16-14-9-13(18-11-19-14)3-1-12-2-4-15(17-10-12)20-5-7-21-8-6-20/h2,4,9-11H,5-8H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14490 (6-{2-[4-(dimethylamino)phenyl]ethynyl}-2-methyl-5-...) Show SMILES CN(C)c1ccc(cc1)C#Cc1nc(C)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C21H20N4/c1-15-23-19(14-11-16-9-12-18(13-10-16)25(2)3)20(21(22)24-15)17-7-5-4-6-8-17/h4-10,12-13H,1-3H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50270588 (4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...) Show SMILES Cc1cc(nc(N)n1)C(F)(F)F Show InChI InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using NMR fragment-based screening assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81729 (HSP90 Inhibitor, 1 | hsp90_125) Show SMILES Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using NMR fragment-based screening assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50270609 ((3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H...) Show SMILES O=C1OCCC1=CNc1ccccc1 |w:6.7| Show InChI InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using NMR fragment-based screening assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair