Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'krishnamoorthy' and Initial = 'j'   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Bcl-XL by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Bcl-XL by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Bcl-XL by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Mcl1 by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Mcl1 by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Mcl1 by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair