Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'fuller' and Initial = 'no'   

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
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239369 (CHEMBL4100303) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5C)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239369 (CHEMBL4100303) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5C)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239385 (CHEMBL4092565) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239368 (CHEMBL4073463) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:36| Show InChI InChI=1S/C33H33N7O5/c1-43-26-6-4-5-21(11-26)18-39-31(42)8-7-22-12-24-13-28(32(22)39)45-10-3-2-9-44-27-14-25(20-41)38(19-27)29-15-30(36-24)40-33(37-29)23(16-34)17-35-40/h2-6,11-13,15,17,25,27,36,41H,7-10,14,18-20H2,1H3/b3-2+/t25-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239368 (CHEMBL4073463) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:36| Show InChI InChI=1S/C33H33N7O5/c1-43-26-6-4-5-21(11-26)18-39-31(42)8-7-22-12-24-13-28(32(22)39)45-10-3-2-9-44-27-14-25(20-41)38(19-27)29-15-30(36-24)40-33(37-29)23(16-34)17-35-40/h2-6,11-13,15,17,25,27,36,41H,7-10,14,18-20H2,1H3/b3-2+/t25-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239362 (CHEMBL4064865) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239362 (CHEMBL4064865) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533556 (US11225475, Compound 3) Show SMILES Cc1nc2CN(Cc2s1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533555 (US11225475, Compound 2) Show SMILES COCc1ccc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533539 (US11225475, Compound 1) Show SMILES Cc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM533539 (US11225475, Compound 1) Show SMILES Cc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465367 (US10793567, Compound 1 | US11225479, Compound 1) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cn(nc2C1)C1COC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)17-6-5-16(22)19(23-17)24-20(28)26-7-13-8-27(15-10-29-11-15)25-18(13)9-26/h1-6,8,15H,7,9-11,22H2,(H,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465368 (US10793567, Compound 2 | US11225479, Compound 2) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)s1 Show InChI InChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465369 (US10793567, Compound 3 | US11225479, Compound 3) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H18N6OS/c1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-8H,2,9-10,19H2,1H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465371 (US10793567, Compound 5 | US11225479, Compound 5) Show SMILES Cc1ncc(s1)-c1ccc(N)c(NC(=O)N2Cc3cn(CC(F)F)nc3C2)n1 Show InChI InChI=1S/C17H17F2N7OS/c1-9-21-4-14(28-9)12-3-2-11(20)16(22-12)23-17(27)25-5-10-6-26(8-15(18)19)24-13(10)7-25/h2-4,6,15H,5,7-8,20H2,1H3,(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM533734 (US11225479, Compound 6) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cn(nc2C1)C1COC1)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533734 (US11225479, Compound 6) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cn(nc2C1)C1COC1)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465374 (US10793567, Compound 8 | US11225479, Compound 8) Show SMILES CCc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C20H20N6O/c1-2-16-8-14-11-26(12-15(14)10-23-16)20(27)25-19-17(21)5-6-18(24-19)13-4-3-7-22-9-13/h3-10H,2,11-12,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465374 (US10793567, Compound 8 | US11225479, Compound 8) Show SMILES CCc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C20H20N6O/c1-2-16-8-14-11-26(12-15(14)10-23-16)20(27)25-19-17(21)5-6-18(24-19)13-4-3-7-22-9-13/h3-10H,2,11-12,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465375 (US10793567, Compound 9 | US11225479, Compound 9) Show SMILES COCCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N6O2/c1-30-7-6-28-10-12-9-27(11-18(12)26-28)20(29)25-19-16(23)4-5-17(24-19)14-3-2-13(21)8-15(14)22/h2-5,8,10H,6-7,9,11,23H2,1H3,(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465381 (US10793567, Compound 17 | US11225479, Compound 17) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O/c1-2-18-23-9-13-10-27(11-17(13)24-18)20(28)26-19-15(22)7-8-16(25-19)12-3-5-14(21)6-4-12/h3-9H,2,10-11,22H2,1H3,(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465381 (US10793567, Compound 17 | US11225479, Compound 17) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O/c1-2-18-23-9-13-10-27(11-17(13)24-18)20(28)26-19-15(22)7-8-16(25-19)12-3-5-14(21)6-4-12/h3-9H,2,10-11,22H2,1H3,(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533559 (US11225475, Compound 4) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cnc(CN3CC(F)C3)cc2C1)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533571 (US11225475, Compound 7) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533574 (US11225475, Compound 8) Show SMILES COCCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccccc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533582 (US11225475, Compound 9) Show SMILES COCc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1ccccc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM533585 (US11225475, Compound 10) Show SMILES CCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM533585 (US11225475, Compound 10) Show SMILES CCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30156
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239380 (CHEMBL4062105) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccncc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C30H30ClN7O4/c31-24-15-33-38-27-14-26(35-30(24)38)36-17-23(13-22(36)18-39)41-9-1-2-10-42-25-12-21(34-27)11-20-3-4-28(40)37(29(20)25)16-19-5-7-32-8-6-19/h1-2,5-8,11-12,14-15,22-23,34,39H,3-4,9-10,13,16-18H2/b2-1+/t22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239380 (CHEMBL4062105) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccncc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C30H30ClN7O4/c31-24-15-33-38-27-14-26(35-30(24)38)36-17-23(13-22(36)18-39)41-9-1-2-10-42-25-12-21(34-27)11-20-3-4-28(40)37(29(20)25)16-19-5-7-32-8-6-19/h1-2,5-8,11-12,14-15,22-23,34,39H,3-4,9-10,13,16-18H2/b2-1+/t22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239383 (CHEMBL4096773) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(CC5CC(F)(F)C5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C29H31ClF2N6O4/c30-22-13-33-38-25-10-24(35-28(22)38)36-15-21(9-20(36)16-39)41-5-1-2-6-42-23-8-19(34-25)7-18-3-4-26(40)37(27(18)23)14-17-11-29(31,32)12-17/h1-2,7-8,10,13,17,20-21,34,39H,3-6,9,11-12,14-16H2/b2-1+/t20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239383 (CHEMBL4096773) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(CC5CC(F)(F)C5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C29H31ClF2N6O4/c30-22-13-33-38-25-10-24(35-28(22)38)36-15-21(9-20(36)16-39)41-5-1-2-6-42-23-8-19(34-25)7-18-3-4-26(40)37(27(18)23)14-17-11-29(31,32)12-17/h1-2,7-8,10,13,17,20-21,34,39H,3-6,9,11-12,14-16H2/b2-1+/t20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239379 (CHEMBL4083842) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccc(C)cc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-4-6-21(7-5-20)17-38-30(41)9-8-22-12-23-13-27(31(22)38)43-11-3-2-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b3-2+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239379 (CHEMBL4083842) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccc(C)cc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-4-6-21(7-5-20)17-38-30(41)9-8-22-12-23-13-27(31(22)38)43-11-3-2-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b3-2+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50065241 (CHEMBL2207044) Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCOC)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C39H67NO7/c1-10-44-33(35(5,6)42)25-21-24(2)30-31(46-25)32(41)37(8)27-12-11-26-34(3,4)28(47-29-22-40(17-19-43-9)18-20-45-29)13-14-38(26)23-39(27,38)16-15-36(30,37)7/h24-33,41-42H,10-23H2,1-9H3/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Satori Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis				Bioorg Med Chem Lett 25: 1621-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.051 BindingDB Entry DOI: 10.7270/Q2JW8GJJ
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239367 (CHEMBL4084806) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(CCCN5CCOCC5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C31H38ClN7O5/c32-25-18-33-39-28-17-27(35-31(25)39)38-19-24(16-23(38)20-40)43-10-1-2-11-44-26-15-22(34-28)14-21-4-5-29(41)37(30(21)26)7-3-6-36-8-12-42-13-9-36/h1-2,14-15,17-18,23-24,34,40H,3-13,16,19-20H2/b2-1+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465375 (US10793567, Compound 9 | US11225479, Compound 9) Show SMILES COCCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N6O2/c1-30-7-6-28-10-12-9-27(11-18(12)26-28)20(29)25-19-16(23)4-5-17(24-19)14-3-2-13(21)8-15(14)22/h2-5,8,10H,6-7,9,11,23H2,1H3,(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465374 (US10793567, Compound 8 | US11225479, Compound 8) Show SMILES CCc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C20H20N6O/c1-2-16-8-14-11-26(12-15(14)10-23-16)20(27)25-19-17(21)5-6-18(24-19)13-4-3-7-22-9-13/h3-10H,2,11-12,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465374 (US10793567, Compound 8 | US11225479, Compound 8) Show SMILES CCc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C20H20N6O/c1-2-16-8-14-11-26(12-15(14)10-23-16)20(27)25-19-17(21)5-6-18(24-19)13-4-3-7-22-9-13/h3-10H,2,11-12,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465372 (US10793567, Compound 6) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2nn(nc2C1)C1COC1)-c1ccc(F)cc1F Show InChI InChI=1S/C19H17F2N7O2/c20-10-1-2-12(13(21)5-10)15-4-3-14(22)18(23-15)24-19(29)27-6-16-17(7-27)26-28(25-16)11-8-30-9-11/h1-5,11H,6-9,22H2,(H,23,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465372 (US10793567, Compound 6) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2nn(nc2C1)C1COC1)-c1ccc(F)cc1F Show InChI InChI=1S/C19H17F2N7O2/c20-10-1-2-12(13(21)5-10)15-4-3-14(22)18(23-15)24-19(29)27-6-16-17(7-27)26-28(25-16)11-8-30-9-11/h1-5,11H,6-9,22H2,(H,23,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465371 (US10793567, Compound 5 | US11225479, Compound 5) Show SMILES Cc1ncc(s1)-c1ccc(N)c(NC(=O)N2Cc3cn(CC(F)F)nc3C2)n1 Show InChI InChI=1S/C17H17F2N7OS/c1-9-21-4-14(28-9)12-3-2-11(20)16(22-12)23-17(27)25-5-10-6-26(8-15(18)19)24-13(10)7-25/h2-4,6,15H,5,7-8,20H2,1H3,(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465369 (US10793567, Compound 3 | US11225479, Compound 3) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H18N6OS/c1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-8H,2,9-10,19H2,1H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465368 (US10793567, Compound 2 | US11225479, Compound 2) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)s1 Show InChI InChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465367 (US10793567, Compound 1 | US11225479, Compound 1) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cn(nc2C1)C1COC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)17-6-5-16(22)19(23-17)24-20(28)26-7-13-8-27(15-10-29-11-15)25-18(13)9-26/h1-6,8,15H,7,9-11,22H2,(H,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239367 (CHEMBL4084806) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(CCCN5CCOCC5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C31H38ClN7O5/c32-25-18-33-39-28-17-27(35-31(25)39)38-19-24(16-23(38)20-40)43-10-1-2-11-44-26-15-22(34-28)14-21-4-5-29(41)37(30(21)26)7-3-6-36-8-12-42-13-9-36/h1-2,14-15,17-18,23-24,34,40H,3-13,16,19-20H2/b2-1+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...				J Med Chem 60: 4386-4402 (2017) Article DOI: 10.1021/acs.jmedchem.7b00359 BindingDB Entry DOI: 10.7270/Q2ZW1P1C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465381 (US10793567, Compound 17 | US11225479, Compound 17) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O/c1-2-18-23-9-13-10-27(11-17(13)24-18)20(28)26-19-15(22)7-8-16(25-19)12-3-5-14(21)6-4-12/h3-9H,2,10-11,22H2,1H3,(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465381 (US10793567, Compound 17 | US11225479, Compound 17) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O/c1-2-18-23-9-13-10-27(11-17(13)24-18)20(28)26-19-15(22)7-8-16(25-19)12-3-5-14(21)6-4-12/h3-9H,2,10-11,22H2,1H3,(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair

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