Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'lopchuk' 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
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50266285 (CHEMBL4086276) Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23 Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 1 (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) by isothermal titration calorimetric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503406 (CHEMBL4463538) Show SMILES Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to TAF1 in HEK293T cells assessed as increase in TAF1 level by ITDR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by isotherma...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50266285 (CHEMBL4086276) Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23 Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by isotherma...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50585017 (AZD6738 | Atr kinase inhibitor azd6738 | Azd 6738 ...) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc[nH]c2nccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503406 (CHEMBL4463538) Show SMILES Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50585017 (AZD6738 | Atr kinase inhibitor azd6738 | Azd 6738 ...) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc[nH]c2nccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by q-PCR bas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by q-PCR bas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50585017 (AZD6738 | Atr kinase inhibitor azd6738 | Azd 6738 ...) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc[nH]c2nccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) by Alphascreen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) by Alphascreen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50266285 (CHEMBL4086276) Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23 Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50266285 (CHEMBL4086276) Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23 Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to TAF1 BD 2 (unknown origin) assessed as dissociation constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to TAF1 BD 1 (unknown origin) assessed as dissociation constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50266285 (CHEMBL4086276) Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23 Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to TAF1 in HEK293T cells assessed as increase in TAF1 level by ITDR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50585017 (AZD6738 | Atr kinase inhibitor azd6738 | Azd 6738 ...) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc[nH]c2nccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by isotherma...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01999 BindingDB Entry DOI: 10.7270/Q2J96B94
					More data for this Ligand-Target Pair