Found 555 hits with Last Name = 'o''connell' and Initial = 's' 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 |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM283216
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM501809
(4-[6-(4-amino-piperidin-1-yl)-4- methyl-5-oxo-3-p...)Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C24H24FN5O/c1-15-3-5-16(6-4-15)22-21(17-7-8-18(14-26)20(25)13-17)28-23(24(31)29(22)2)30-11-9-19(27)10-12-30/h3-8,13,19H,9-12,27H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM264020
(2-[5-[(4- cyanophenyl)methoxy]pyrazol-1- yl]pyridi...)Show InChI InChI=1S/C17H12N4O3/c18-10-12-1-3-13(4-2-12)11-24-16-6-8-20-21(16)15-9-14(17(22)23)5-7-19-15/h1-9H,11H2,(H,22,23) | PDB
UniProtKB/SwissProt
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM283129
(4-[2-(4-amino-piperidin-1-yl)-5- (4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H25N5O2/c1-28-23(30)21(17-7-9-20(31-2)10-8-17)22(18-5-3-16(15-25)4-6-18)27-24(28)29-13-11-19(26)12-14-29/h3-10,19H,11-14,26H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM283200
(4-[2-(4-amino-piperidin-1-yl)-5-(4- methoxyphenyl)...)Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H24FN5O2/c1-29-23(31)21(17-7-8-20(32-2)19(25)13-17)22(16-5-3-15(14-26)4-6-16)28-24(29)30-11-9-18(27)10-12-30/h3-8,13,18H,9-12,27H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
TBA
| Assay Description Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM263974
(2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...)Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21) | PDB
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM264025
(2-(4-[2-(dimethylamino)ethyl]- 5-[(4- fluorophenyl...)Show SMILES CN(C)CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H21FN4O3/c1-24(2)10-8-16-12-23-25(18-11-15(20(26)27)7-9-22-18)19(16)28-13-14-3-5-17(21)6-4-14/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,26,27) | PDB
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM264012
(2-[5-[(4-chloro-2- methoxyphenyl)methoxy]pyrazol- ...)Show InChI InChI=1S/C17H14ClN3O4/c1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23) | PDB
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50554230
(CHEMBL4748670)Show SMILES [H][C@]12CCN[C@@]1([H])CCN(C2)c1ncc(-c2ccc(C)cc2)c(n1)-c1ccc(cc1)C#N |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM283128
(4-(2-(4-aminopiperidin-1-yl)- 1-methyl-6-oxo-5-p-t...)Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H25N5O/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(15-25)6-10-19)27-24(28(2)23(21)30)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM501778
(4-[6-(4-aminopiperidin-1-yl)-4- methyl-3-(4-methy...)Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H25N5O/c1-16-3-7-19(8-4-16)22-21(18-9-5-17(15-25)6-10-18)27-23(24(30)28(22)2)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50554231
(CHEMBL4796870)Show SMILES Cc1ccc(cc1)-c1cnc(C[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50158627
(CHEMBL3787482 | US10023592, Example 81)Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method |
Bioorg Med Chem Lett 28: 1811-1816 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM263992
(2-{5-[(4-bromobenzyl)oxy]-1H- pyrazol-1-yl}pyridin...)Show InChI InChI=1S/C16H12BrN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM191600
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM285038
(4-(5-ethylsulfonyl-2-propoxyphenyl)-2-methyl- 6-(1...)Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C25H27N3O4S/c1-5-11-32-24-10-8-19(33(30,31)6-2)13-22(24)23-16-27(3)25(29)20-9-7-17(12-21(20)23)18-14-26-28(4)15-18/h7-10,12-16H,5-6,11H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method |
Bioorg Med Chem Lett 28: 1811-1816 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM285038
(4-(5-ethylsulfonyl-2-propoxyphenyl)-2-methyl- 6-(1...)Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C25H27N3O4S/c1-5-11-32-24-10-8-19(33(30,31)6-2)13-22(24)23-16-27(3)25(29)20-9-7-17(12-21(20)23)18-14-26-28(4)15-18/h7-10,12-16H,5-6,11H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte... |
Bioorg Med Chem Lett 28: 1811-1816 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM264025
(2-(4-[2-(dimethylamino)ethyl]- 5-[(4- fluorophenyl...)Show SMILES CN(C)CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H21FN4O3/c1-24(2)10-8-16-12-23-25(18-11-15(20(26)27)7-9-22-18)19(16)28-13-14-3-5-17(21)6-4-14/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM263991
(2-{5-[(4-ethylbenzyl)oxy]- 1H-pyrazol-1-yl}pyridin...)Show InChI InChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM301089
(4-[2-(4-aminopiperidin-1-yl)-5-(4- methylphenyl)py...)Show SMILES Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1 Show InChI InChI=1S/C23H23N5/c1-16-2-6-18(7-3-16)21-15-26-23(28-12-10-20(25)11-13-28)27-22(21)19-8-4-17(14-24)5-9-19/h2-9,15,20H,10-13,25H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337934
((R)-3-(2,3-dihydroxypropoxy)-6-fluoro-5-(2-fluoro-...)Show SMILES Cn1c2ncn(OC[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r| Show InChI InChI=1S/C17H15F2IN4O5/c1-23-15-12(16(27)24(7-21-15)29-6-9(26)5-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337926
((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r| Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337929
((S)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r| Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337933
(3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-...)Show SMILES Cn1c2ncn(C(CO)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)9(5-25)6-26)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM1711
(CHEMBL1684067 | US8470837, 8)Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O |r| Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM264001
(2-{5-[(4-chloro-2- fluorobenzyl)oxy]-1H-pyrazol-1-...)Show InChI InChI=1S/C16H11ClFN3O3/c17-12-2-1-11(13(18)8-12)9-24-15-4-6-20-21(15)14-7-10(16(22)23)3-5-19-14/h1-8H,9H2,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM263975
(2-{5-[(4-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)Show InChI InChI=1S/C16H12FN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM264021
(2-[5-[(4-chloro-2- phenylmethoxyphenyl)methoxy] py...)Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCc1ccccc1 Show InChI InChI=1S/C23H18ClN3O4/c24-19-7-6-18(20(13-19)30-14-16-4-2-1-3-5-16)15-31-22-9-11-26-27(22)21-12-17(23(28)29)8-10-25-21/h1-13H,14-15H2,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM264020
(2-[5-[(4- cyanophenyl)methoxy]pyrazol-1- yl]pyridi...)Show InChI InChI=1S/C17H12N4O3/c18-10-12-1-3-13(4-2-12)11-24-16-6-8-20-21(16)15-9-14(17(22)23)5-7-19-15/h1-9H,11H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM263978
(2-{5-[(4-methoxybenzyl)oxy]-1H- pyrazol-1-yl}pyrid...)Show InChI InChI=1S/C17H15N3O4/c1-23-14-4-2-12(3-5-14)11-24-16-7-9-19-20(16)15-10-13(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50158703
(CHEMBL3785832 | US10173996, Example 53 | US9604961...)Show InChI InChI=1S/C16H12ClN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337932
(5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-...)Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(CCO)c2=O)n(C)c1=O Show InChI InChI=1S/C17H16FIN4O3/c1-9-14(21-12-4-3-10(19)7-11(12)18)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM264030
(2-[5-[(4-chloro-2- ethoxyphenyl)methoxy]pyrazol-1-...)Show InChI InChI=1S/C18H16ClN3O4/c1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM263990
(2-{5-[(4-methylbenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)Show InChI InChI=1S/C17H15N3O3/c1-12-2-4-13(5-3-12)11-23-16-7-9-19-20(16)15-10-14(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337920
((R)-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-iodophen...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O |r| Show InChI InChI=1S/C17H16FIN4O4/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)6-10(25)7-24/h2-5,8,10,21,24-25H,6-7H2,1H3/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337928
((R)-3-(2,3-dihydroxypropyl)-5-(4-ethynyl-2-fluorop...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(cc2F)C#C)c(F)c1=O |r| Show InChI InChI=1S/C19H16F2N4O4/c1-3-10-4-5-13(12(20)6-10)23-16-14-17(24(2)19(29)15(16)21)22-9-25(18(14)28)7-11(27)8-26/h1,4-6,9,11,23,26-27H,7-8H2,2H3/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337937
(5-(2-fluoro-4-iodophenylamino)-3-(3-hydroxypropyl)...)Show InChI InChI=1S/C17H16FIN4O3/c1-22-14(25)8-13(21-12-4-3-10(19)7-11(12)18)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50158627
(CHEMBL3787482 | US10023592, Example 81)Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte... |
Bioorg Med Chem Lett 28: 1811-1816 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM285167
(2-methyl-6-(1-methylpyrazol-4-yl)-4-(5- methylsulf...)Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O Show InChI InChI=1S/C24H25N3O4S/c1-5-10-31-23-9-7-18(32(4,29)30)12-21(23)22-15-26(2)24(28)19-8-6-16(11-20(19)22)17-13-25-27(3)14-17/h6-9,11-15H,5,10H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte... |
Bioorg Med Chem Lett 28: 1811-1816 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4C
(Homo sapiens (Human)) | BDBM263974
(2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...)Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM4C (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50317946
(CHEMBL1095451 | N-hydroxy-3-(3-(5-methyl-1-pheneth...)Show SMILES Cc1c(nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)28-27(30(20)18-17-21-9-4-2-5-10-21)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 |
Bioorg Med Chem Lett 20: 3138-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50317947
((R)-N-hydroxy-3-(3-(5-methyl-1-(1-methylpiperidin-...)Show SMILES CN1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O2/c1-18-24(20-9-4-3-5-10-20)26-25(29(18)22-12-7-15-28(2)17-22)21-11-6-8-19(16-21)13-14-23(30)27-31/h3-6,8-11,13-14,16,22,31H,7,12,15,17H2,1-2H3,(H,27,30)/b14-13+/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 |
Bioorg Med Chem Lett 20: 3138-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50317949
((R)-N-hydroxy-3-(3-(1-(1-isopropylpiperidin-3-yl)-...)Show SMILES CC(C)N1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(2)30-16-8-13-24(18-30)31-20(3)26(22-10-5-4-6-11-22)28-27(31)23-12-7-9-21(17-23)14-15-25(32)29-33/h4-7,9-12,14-15,17,19,24,33H,8,13,16,18H2,1-3H3,(H,29,32)/b15-14+/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 |
Bioorg Med Chem Lett 20: 3138-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50317960
(3-(3-(5-benzyl-4-methyl-1-phenethyl-1H-imidazol-2-...)Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1Cc1ccccc1 Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)31(18-17-22-9-4-2-5-10-22)28(29-21)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 |
Bioorg Med Chem Lett 20: 3138-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM1714
(CHEMBL1684071 | US8470837, 13)Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@H](O)CO)c2=O)n(C)c1=O |r| Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m0/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50337924
((R)-6-chloro-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(Cl)c1=O |r| Show InChI InChI=1S/C17H15ClFIN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(18)17(23)28)22-11-3-2-8(20)4-10(11)19/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/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 | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4C
(Homo sapiens (Human)) | BDBM321348
(3-({[(1R)-6-methoxy-1,2,3,4- tetrahydronaphthalen-...)Show InChI InChI=1S/C18H20N2O3/c1-23-14-5-6-15-12(9-14)3-2-4-13(15)10-20-17-11-19-8-7-16(17)18(21)22/h5-9,11,13,20H,2-4,10H2,1H3,(H,21,22)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research
Curated by ChEMBL
| Assay Description Inhibition of KDM4C (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrat... |
ACS Med Chem Lett 8: 869-874 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00220 BindingDB Entry DOI: 10.7270/Q2HH6NPJ |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438239
(CHEMBL2407975)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H30N4O3/c1-4-25-24(30)19-5-7-20(8-6-19)28-11-9-27(10-12-28)15-18-13-16(2)22-21(14-18)26-23(29)17(3)31-22/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 catalytic activity after 10 mins by ELISA |
Bioorg Med Chem Lett 23: 4501-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.055 BindingDB Entry DOI: 10.7270/Q2TT4SC9 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM264022
(2-[5-[[4-chloro-2- (cyclopropylmethoxy(phenyl] met...)Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCC1CC1 Show InChI InChI=1S/C20H18ClN3O4/c21-16-4-3-15(17(10-16)27-11-13-1-2-13)12-28-19-6-8-23-24(19)18-9-14(20(25)26)5-7-22-18/h3-10,13H,1-2,11-12H2,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM263992
(2-{5-[(4-bromobenzyl)oxy]-1H- pyrazol-1-yl}pyridin...)Show InChI InChI=1S/C16H12BrN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) preincubated with enzyme |
Bioorg Med Chem Lett 28: 1490-1494 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4 |
More data for this Ligand-Target Pair | |