Compile Data Set for Download or QSAR

Found 1009 hits with Last Name = 'mandal' and Initial = 'pk'   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343634 (4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...) Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H44N5O9P/c1-3-4-10-28(37-30(41)17-21(2)23-11-13-25(14-12-23)48-49(45,46)47)34(44)39-20-24-18-26(24)31(39)33(43)38-27(15-16-29(35)40)32(42)36-19-22-8-6-5-7-9-22/h5-9,11-14,17,24,26-28,31H,3-4,10,15-16,18-20H2,1-2H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-17+/t24-,26-,27+,28+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343641 (CHEMBL1774964 | cis-4-((E)-4-((S)-4-methyl-1-oxo-1...) Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O |r,w:8.7| Show InChI InChI=1S/C25H36N5O8P/c1-14(2)10-20(29-21(31)11-15(3)16-4-6-18(7-5-16)38-39(35,36)37)24(33)30-13-17-12-19(17)22(30)23(32)27-8-9-28-25(26)34/h4-7,11,14,17,19-20,22H,8-10,12-13H2,1-3H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343632 (4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H44N5O9P/c1-20(2)15-28(37-30(41)16-21(3)23-9-11-25(12-10-23)48-49(45,46)47)34(44)39-19-24-17-26(24)31(39)33(43)38-27(13-14-29(35)40)32(42)36-18-22-7-5-4-6-8-22/h4-12,16,20,24,26-28,31H,13-15,17-19H2,1-3H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-16+/t24-,26-,27+,28+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343644 (CHEMBL1774967 | cis-4-((E)-4-oxo-4-((S)-1-oxo-1-((...) Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O |r,w:8.7| Show InChI InChI=1S/C25H36N5O8P/c1-3-4-5-20(29-21(31)12-15(2)16-6-8-18(9-7-16)38-39(35,36)37)24(33)30-14-17-13-19(17)22(30)23(32)27-10-11-28-25(26)34/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343633 (4-((E)-3-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...) Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C33H42N5O9P/c1-2-3-9-27(36-29(40)17-12-21-10-13-24(14-11-21)47-48(44,45)46)33(43)38-20-23-18-25(23)30(38)32(42)37-26(15-16-28(34)39)31(41)35-19-22-7-5-4-6-8-22/h4-8,10-14,17,23,25-27,30H,2-3,9,15-16,18-20H2,1H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b17-12+/t23-,25-,26+,27+,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343635 (4-((E)-4-((3S,6S)-6-((S)-5-amino-1-(benzylamino)-1...) Show SMILES C\C(=C/C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(OP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C35H38N5O9P/c1-21(23-10-13-26(14-11-23)49-50(46,47)48)18-31(42)38-28-15-12-24-8-5-9-25-19-29(40(32(24)25)35(28)45)34(44)39-27(16-17-30(36)41)33(43)37-20-22-6-3-2-4-7-22/h2-11,13-14,18,27-29H,12,15-17,19-20H2,1H3,(H2,36,41)(H,37,43)(H,38,42)(H,39,44)(H2,46,47,48)/b21-18+/t27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343642 (CHEMBL1774965 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...) Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O |r| Show InChI InChI=1S/C27H39N4O8P/c1-4-5-6-22(30-24(33)13-16(2)18-8-10-20(11-9-18)39-40(36,37)38)27(35)31-15-19-14-21(19)25(31)26(34)29-17(3)7-12-23(28)32/h8-11,13,17,19,21-22,25H,4-7,12,14-15H2,1-3H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-13+/t17-,19-,21-,22+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343631 (4-((E)-4-((S)-1-((S)-2-((S)-5-amino-1-(benzylamino...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C33H44N5O9P/c1-21(2)18-27(36-30(40)19-22(3)24-11-13-25(14-12-24)47-48(44,45)46)33(43)38-17-7-10-28(38)32(42)37-26(15-16-29(34)39)31(41)35-20-23-8-5-4-6-9-23/h4-6,8-9,11-14,19,21,26-28H,7,10,15-18,20H2,1-3H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b22-19+/t26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343639 (CHEMBL1774962 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O |r| Show InChI InChI=1S/C27H39N4O8P/c1-15(2)11-22(30-24(33)12-16(3)18-6-8-20(9-7-18)39-40(36,37)38)27(35)31-14-19-13-21(19)25(31)26(34)29-17(4)5-10-23(28)32/h6-9,12,15,17,19,21-22,25H,5,10-11,13-14H2,1-4H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-12+/t17-,19-,21-,22+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343638 (4-((E)-4-((S)-4-methyl-1-oxo-1-((S)-2-(2-ureidoeth...) Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCNC(N)=O |r,w:8.7| Show InChI InChI=1S/C24H36N5O8P/c1-15(2)13-19(23(32)29-12-4-5-20(29)22(31)26-10-11-27-24(25)33)28-21(30)14-16(3)17-6-8-18(9-7-17)37-38(34,35)36/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3,(H,26,31)(H,28,30)(H3,25,27,33)(H2,34,35,36)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343645 (4-((E)-4-((3S,6S)-6-((R)-5-amino-5-oxopentan-2-ylc...) Show SMILES C[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C(/C)c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r| Show InChI InChI=1S/C28H33N4O8P/c1-16(18-7-10-21(11-8-18)40-41(37,38)39)14-25(34)31-22-12-9-19-4-3-5-20-15-23(32(26(19)20)28(22)36)27(35)30-17(2)6-13-24(29)33/h3-5,7-8,10-11,14,17,22-23H,6,9,12-13,15H2,1-2H3,(H2,29,33)(H,30,35)(H,31,34)(H2,37,38,39)/b16-14+/t17-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343643 (CHEMBL1774966 | cis-2-((1R,2S,5S)-3-((S)-2-((E)-3-...) Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O |r,w:8.7| Show InChI InChI=1S/C25H35N4O9P/c1-3-4-5-20(28-21(30)12-15(2)16-6-8-18(9-7-16)38-39(34,35)36)24(32)29-14-17-13-19(17)22(29)23(31)27-10-11-37-25(26)33/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H2,26,33)(H,27,31)(H,28,30)(H2,34,35,36)/t17-,19-,20+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343636 (4-((E)-4-((S)-1-((S)-2-((R)-5-amino-5-oxopentan-2-...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(N)=O |r| Show InChI InChI=1S/C26H39N4O8P/c1-16(2)14-21(26(34)30-13-5-6-22(30)25(33)28-18(4)7-12-23(27)31)29-24(32)15-17(3)19-8-10-20(11-9-19)38-39(35,36)37/h8-11,15-16,18,21-22H,5-7,12-14H2,1-4H3,(H2,27,31)(H,28,33)(H,29,32)(H2,35,36,37)/b17-15+/t18-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343646 (2-((3S,6S)-4-oxo-3-((E)-3-(4-(phosphonooxy)phenyl)...) Show SMILES CC(=CC(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCCOC(N)=O)c1ccc(OP(O)(O)=O)cc1 |r,w:2.2| Show InChI InChI=1S/C26H29N4O9P/c1-15(16-5-8-19(9-6-16)39-40(35,36)37)13-22(31)29-20-10-7-17-3-2-4-18-14-21(30(23(17)18)25(20)33)24(32)28-11-12-38-26(27)34/h2-6,8-9,13,20-21H,7,10-12,14H2,1H3,(H2,27,34)(H,28,32)(H,29,31)(H2,35,36,37)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343640 (CHEMBL1774963 | cis-2-((1R,2S,5S)-3-((S)-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O |r,w:8.7| Show InChI InChI=1S/C25H35N4O9P/c1-14(2)10-20(28-21(30)11-15(3)16-4-6-18(7-5-16)38-39(34,35)36)24(32)29-13-17-12-19(17)22(29)23(31)27-8-9-37-25(26)33/h4-7,11,14,17,19-20,22H,8-10,12-13H2,1-3H3,(H2,26,33)(H,27,31)(H,28,30)(H2,34,35,36)/t17-,19-,20+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343637 (2-((S)-1-((S)-4-methyl-2-((E)-3-(4-(phosphonooxy)p...) Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOC(N)=O |r,w:8.7| Show InChI InChI=1S/C24H35N4O9P/c1-15(2)13-19(23(31)28-11-4-5-20(28)22(30)26-10-12-36-24(25)32)27-21(29)14-16(3)17-6-8-18(9-7-17)37-38(33,34)35/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3,(H2,25,32)(H,26,30)(H,27,29)(H2,33,34,35)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343647 (4-((E)-4-oxo-4-((3S,6S)-4-oxo-6-(2-ureidoethylcarb...) Show SMILES CC(=CC(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCCNC(N)=O)c1ccc(OP(O)(O)=O)cc1 |r,w:2.2| Show InChI InChI=1S/C26H30N5O8P/c1-15(16-5-8-19(9-6-16)39-40(36,37)38)13-22(32)30-20-10-7-17-3-2-4-18-14-21(31(23(17)18)25(20)34)24(33)28-11-12-29-26(27)35/h2-6,8-9,13,20-21H,7,10-12,14H2,1H3,(H,28,33)(H,30,32)(H3,27,29,35)(H2,36,37,38)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC4 (unknown origin)				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM117170 (US8648092, 101) Show SMILES CCC(CC)CN(CC)Cc1c(C)nc2cc(\C=C\C(=O)NO)ccn12 Show InChI InChI=1S/C20H30N4O2/c1-5-16(6-2)13-23(7-3)14-18-15(4)21-19-12-17(10-11-24(18)19)8-9-20(25)22-26/h8-12,16,26H,5-7,13-14H2,1-4H3,(H,22,25)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM117141 (US8648092, 72) Show SMILES CCCCNCc1c(CCCC)nc2cc(\C=C\C(=O)NO)ccn12 Show InChI InChI=1S/C19H28N4O2/c1-3-5-7-16-17(14-20-11-6-4-2)23-12-10-15(13-18(23)21-16)8-9-19(24)22-25/h8-10,12-13,20,25H,3-7,11,14H2,1-2H3,(H,22,24)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM117146 (US8648092, 77) Show SMILES CCCCN(CC)Cc1c(CCCC)nc2cc(\C=C\C(=O)NO)ccn12 Show InChI InChI=1S/C21H32N4O2/c1-4-7-9-18-19(16-24(6-3)13-8-5-2)25-14-12-17(15-20(25)22-18)10-11-21(26)23-27/h10-12,14-15,27H,4-9,13,16H2,1-3H3,(H,23,26)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531385 (CHEMBL4568666) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)[C@@H]1CO1)NC(=O)C2 |r| Show InChI InChI=1S/C34H42N4O6/c39-29(30-22-44-30)17-9-3-8-16-26-32(41)36-27(19-23-11-4-1-5-12-23)33(42)37-28(20-24-13-6-2-7-14-24)34(43)38-18-10-15-25(38)21-31(40)35-26/h1-2,4-7,11-14,25-28,30H,3,8-10,15-22H2,(H,35,40)(H,36,41)(H,37,42)/t25-,26+,27+,28+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in NIH/3T3 cells using [3H]acetyl histone as substrate measured after 15 mins by liquid scintillation...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531393 (CHEMBL4438063) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC[C@H](CCCCCC(=O)C1CO1)NC2=O |r| Show InChI InChI=1S/C28H40N4O5/c1-28(2)27(36)31-21(16-19-10-5-3-6-11-19)26(35)32-15-9-13-22(32)25(34)30-20(17-29-28)12-7-4-8-14-23(33)24-18-37-24/h3,5-6,10-11,20-22,24,29H,4,7-9,12-18H2,1-2H3,(H,30,34)(H,31,36)/t20-,21-,22+,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM506627 (US11046649, Ex. 5) Show SMILES Fc1cc2ncn([C@@H]3C[C@H]4[C@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@H]4C3)c2cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531382 (CHEMBL4455057) Show SMILES Cc1nn2ccccc2c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C23H26N4O2/c1-17-20(22-5-2-3-15-27(22)24-17)13-16-26-14-4-6-21(26)19-10-7-18(8-11-19)9-12-23(28)25-29/h2-3,5,7-12,15,21,29H,4,6,13-14,16H2,1H3,(H,25,28)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of GST-tagged HDAC1 (unknown origin) expressed in insect cells using poly (Glu, Tyr) 4:1 as substrate measured after 15 mins in presence o...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50578624 (CHEMBL4856710) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(F)cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50578623 (CHEMBL4858888) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531391 (CHEMBL4472220) Show SMILES CN(Cc1c(nc2cc(\C=C\C(=O)NO)ccn12)C(C)(C)C)CC(C)(C)C Show InChI InChI=1S/C21H32N4O2/c1-20(2,3)14-24(7)13-16-19(21(4,5)6)22-17-12-15(10-11-25(16)17)8-9-18(26)23-27/h8-12,27H,13-14H2,1-7H3,(H,23,26)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531357 (CHEMBL4543166) Show SMILES CCc1n[nH]c(CC)c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H30N4O2/c1-3-19-18(20(4-2)24-23-19)13-15-26-14-5-6-21(26)17-10-7-16(8-11-17)9-12-22(27)25-28/h7-12,21,28H,3-6,13-15H2,1-2H3,(H,23,24)(H,25,27)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of GST-tagged HDAC1 (unknown origin) expressed in insect cells using poly (Glu, Tyr) 4:1 as substrate measured after 15 mins in presence o...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531378 (CHEMBL4571133) Show SMILES [H][C@]12CCCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)[C@@H]1CO1)NC(=O)C2 |r| Show InChI InChI=1S/C35H44N4O6/c40-30(31-23-45-31)18-9-3-8-17-27-33(42)37-28(20-24-12-4-1-5-13-24)34(43)38-29(21-25-14-6-2-7-15-25)35(44)39-19-11-10-16-26(39)22-32(41)36-27/h1-2,4-7,12-15,26-29,31H,3,8-11,16-23H2,(H,36,41)(H,37,42)(H,38,43)/t26-,27+,28+,29+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in NIH/3T3 cells using [3H]acetyl histone as substrate measured after 15 mins by liquid scintillation...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531384 (CHEMBL4574244) Show SMILES ONC(=O)\C=C\c1ccc(cc1)C1CCCN1CCc1cnn2ccccc12 Show InChI InChI=1S/C22H24N4O2/c27-22(24-28)11-8-17-6-9-18(10-7-17)20-5-3-13-25(20)15-12-19-16-23-26-14-2-1-4-21(19)26/h1-2,4,6-11,14,16,20,28H,3,5,12-13,15H2,(H,24,27)/b11-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of GST-tagged HDAC1 (unknown origin) expressed in insect cells using poly (Glu, Tyr) 4:1 as substrate measured after 15 mins in presence o...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50578677 (CHEMBL4849690) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)c1nc2cc(Cl)ccc2[nH]1)c1ccnc2ccc(F)cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
CREB-binding protein [1081-1197] (Homo sapiens (Human))	BDBM511394 (3-(4,4- difluorocyclohexyl)-1-(7- fluoro-3-(2-meth...) Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCC(F)(F)CC1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,-.48,;-4.22,.29,;-2.89,-.48,;-2.89,-2.02,;-1.55,.29,;-1.55,1.83,;-.22,2.6,;1.11,1.83,;1.11,.29,;-.22,-.48,;2.58,-.19,;3.48,1.06,;2.58,2.3,;2.98,3.79,;4.47,4.19,;4.86,5.68,;3.77,6.77,;4.86,7.85,;3.38,8.25,;2.29,6.37,;1.89,4.88,;2.98,-1.68,;4.47,-2.08,;5.55,-.99,;4.86,-3.56,;3.77,-4.65,;2.29,-4.25,;1.2,-5.34,;-.29,-4.94,;-.69,-3.46,;.4,-2.37,;1.89,-2.77,;-1.38,-6.03,;-1.14,-7.55,;-2.51,-8.25,;-3.6,-7.16,;-5.09,-7.56,;-2.9,-5.79,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CC13VN
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50531374 (CHEMBL4467135) Show SMILES [H][C@]12CCCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1cc3ccccc3n1OC)CC(=O)[C@H](CCCCCC(=O)CC)NC2=O)[C@@H](C)CC |r| Show InChI InChI=1S/C35H50N4O6/c1-5-23(3)32-35(44)38-19-13-12-18-30(38)34(43)36-28(16-9-7-8-15-27(40)6-2)31(41)22-25(33(42)37-32)21-26-20-24-14-10-11-17-29(24)39(26)45-4/h10-11,14,17,20,23,25,28,30,32H,5-9,12-13,15-16,18-19,21-22H2,1-4H3,(H,36,43)(H,37,42)/t23-,25+,28-,30+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC (unknown origin)				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
CREB-binding protein [1081-1197] (Homo sapiens (Human))	BDBM511390 (1-(7-fluoro-3-(2- methylthiazol-5- yl)isoquinolin-...) Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCOCC1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,.26,;-4.22,1.03,;-2.89,.26,;-2.89,-1.28,;-1.55,1.03,;-1.55,2.57,;-.22,3.34,;1.11,2.57,;1.11,1.03,;-.22,.26,;2.58,.55,;3.48,1.8,;2.58,3.05,;2.98,4.53,;4.47,4.93,;4.86,6.42,;3.77,7.51,;2.29,7.11,;1.89,5.62,;2.98,-.93,;4.47,-1.33,;5.55,-.24,;4.86,-2.82,;3.77,-3.91,;2.29,-3.51,;1.2,-4.6,;-.29,-4.2,;-.69,-2.71,;.4,-1.62,;1.89,-2.02,;-1.38,-5.29,;-1.14,-6.81,;-2.51,-7.51,;-3.6,-6.42,;-5.09,-6.82,;-2.9,-5.05,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CC13VN
					More data for this Ligand-Target Pair
CREB-binding protein [1081-1197] (Homo sapiens (Human))	BDBM511377 (3-(4,4- difluorocyclohexyl)-N- methyl-1-(2-(1-meth...) Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCC(F)(F)CC1)-c1cccc2nc(-c3cnn(C)c3)c(cc12)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CC13VN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50578635 (CHEMBL4875089) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
CREB-binding protein [1081-1197] (Homo sapiens (Human))	BDBM511316 (3-Cyclopropyl-N-methyl-1-(3-(6-(methylcarbamoyl)py...) Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NC Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CC13VN
					More data for this Ligand-Target Pair
CREB-binding protein [1081-1197] (Homo sapiens (Human))	BDBM511322 (3-Cyclopropyl-N-methyl-1-(3-(2-methylthiazol-5-yl)...) Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CC1)-c1cccc2cc(ncc12)-c1cnc(C)s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CC13VN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50578623 (CHEMBL4858888) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531398 (CHEMBL4454463) Show SMILES ONC(=O)\C=C\c1ccc(cc1)C1CCCN1CCc1c(nn2ccccc12)-c1cccnc1 Show InChI InChI=1S/C27H27N5O2/c33-26(30-34)13-10-20-8-11-21(12-9-20)24-7-4-16-31(24)18-14-23-25-6-1-2-17-32(25)29-27(23)22-5-3-15-28-19-22/h1-3,5-6,8-13,15,17,19,24,34H,4,7,14,16,18H2,(H,30,33)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of GST-tagged HDAC1 (unknown origin) expressed in insect cells using poly (Glu, Tyr) 4:1 as substrate measured after 15 mins in presence o...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
CREB-binding protein [1081-1197] (Homo sapiens (Human))	BDBM511356 (N-methyl-1-(3-(6- (methylcarbamoyl)pyridin- 3-yl)i...) Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NC Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CC13VN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50531392 (CHEMBL4441675) Show SMILES CN(C)Cc1c(C)n(-c2ccc(cc2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C19H21N3O2/c1-13-17(12-21(2)3)16-6-4-5-7-18(16)22(13)15-10-8-14(9-11-15)19(23)20-24/h4-11,24H,12H2,1-3H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using fluorescent-labelled...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50578639 (CHEMBL4868112) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2cc(F)ccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50531386 (CHEMBL4562547) Show SMILES Cc1c(CN)c2ccccc2n1-c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H17N3O2/c1-11-15(10-18)14-4-2-3-5-16(14)20(11)13-8-6-12(7-9-13)17(21)19-22/h2-9,22H,10,18H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using fluorescent-labelled...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50578625 (CHEMBL4855340) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,18.21,(31.16,-49.31,;31.94,-50.76,;33.11,-51.77,;34.58,-51.26,;34.85,-49.74,;33.69,-48.73,;32.23,-49.24,;36.31,-49.23,;36.59,-47.71,;38.05,-47.2,;39.23,-48.21,;38.93,-49.73,;40.14,-50.67,;39.94,-52.19,;38.51,-52.78,;38.3,-54.3,;37.29,-51.83,;37.51,-50.31,;30.48,-51.26,;30.19,-52.77,;29.32,-50.25,;27.86,-50.76,;29.61,-48.74,;28.44,-47.73,;28.74,-46.23,;27.58,-45.22,;26.12,-45.72,;24.95,-44.72,;25.83,-47.25,;27,-48.25,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human HDAC6 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50578633 (CHEMBL4872522) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50578622 (CHEMBL4861332) Show SMILES [H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S
					More data for this Ligand-Target Pair

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