Compile Data Set for Download or QSAR

Found 1126 hits with Last Name = 'won' and Initial = 'ac'   

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))	BDBM50386447 (CHEMBL2047701) Show SMILES Oc1c(Br)cc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H12Br2N2O3S/c12-7-3-6(4-8(13)10(7)16)5-9(15-18)11(17)14-1-2-19/h3-4,9,16,19H,1-2,5H2,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124354 (CHEMBL3623439) Show SMILES Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386442 (CHEMBL2047694) Show SMILES CSc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C12H15BrN2O2S2/c1-19-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-18/h2-3,6,10,18H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386435 (CHEMBL2047702) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)ccc1SC Show InChI InChI=1S/C13H18N2O3S2/c1-18-11-8-9(3-4-12(11)20-2)7-10(15-17)13(16)14-5-6-19/h3-4,8,10,19H,5-7H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386453 (CHEMBL2047540) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H13BrN2O3S/c12-8-5-7(1-2-10(8)15)6-9(14-17)11(16)13-3-4-18/h1-2,5,9,15,18H,3-4,6H2,(H,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386441 (CHEMBL2047692) Show SMILES Fc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H12BrFN2O2S/c12-8-5-7(1-2-9(8)13)6-10(15-17)11(16)14-3-4-18/h1-2,5,10,18H,3-4,6H2,(H,14,16)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386434 (CHEMBL2047699) Show SMILES [O-][N+](=O)c1cccc(CC(N=O)C(=O)NCCS)c1 Show InChI InChI=1S/C11H13N3O4S/c15-11(12-4-5-19)10(13-16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10,19H,4-5,7H2,(H,12,15)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386440 (CHEMBL2047691) Show SMILES COc1ccc(CC(N=O)C(=O)NCCS)cc1I Show InChI InChI=1S/C12H15IN2O3S/c1-18-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-19/h2-3,6,10,19H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386448 (CHEMBL2047703) Show SMILES CN(C)c1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C13H19N3O2S/c1-16(2)11-5-3-10(4-6-11)9-12(15-18)13(17)14-7-8-19/h3-6,12,19H,7-9H2,1-2H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50124354 (CHEMBL3623439) Show SMILES Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged LIMK2				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386444 (CHEMBL2047696) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)cc(Br)c1OC Show InChI InChI=1S/C13H17BrN2O4S/c1-19-11-7-8(5-9(14)12(11)20-2)6-10(16-18)13(17)15-3-4-21/h5,7,10,21H,3-4,6H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386443 (CHEMBL2047695) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)cc(I)c1OC Show InChI InChI=1S/C13H17IN2O4S/c1-19-11-7-8(5-9(14)12(11)20-2)6-10(16-18)13(17)15-3-4-21/h5,7,10,21H,3-4,6H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124355 (CHEMBL3623442) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24)	PDB 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	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50434072 (CHEMBL2381342) Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10| Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50434072 (CHEMBL2381342) Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10| Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of GST-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay				Eur J Med Chem 178: 530-543 (2019) Article DOI: 10.1016/j.ejmech.2019.05.057 BindingDB Entry DOI: 10.7270/Q23F4T0G
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386457 (CHEMBL2047541) Show SMILES COc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C12H15BrN2O3S/c1-18-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-19/h2-3,6,10,19H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386450 (CHEMBL2047684) Show SMILES ONC(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O Show InChI InChI=1S/C12H14BrN3O5/c13-8-5-7(1-2-10(8)17)6-9(15-20)12(19)14-4-3-11(18)16-21/h1-2,5,9,17,21H,3-4,6H2,(H,14,19)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386439 (CHEMBL2047690) Show SMILES CSc1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C12H16N2O2S2/c1-18-10-4-2-9(3-5-10)8-11(14-16)12(15)13-6-7-17/h2-5,11,17H,6-8H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50124355 (CHEMBL3623442) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged LIMK2				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386445 (CHEMBL2047698) Show SMILES COc1ccc(CC(N=O)C(=O)NCCS)cc1OC Show InChI InChI=1S/C13H18N2O4S/c1-18-11-4-3-9(8-12(11)19-2)7-10(15-17)13(16)14-5-6-20/h3-4,8,10,20H,5-7H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124352 (CHEMBL3623441) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl Show InChI InChI=1S/C18H16ClN3OS/c1-11(2)17(23)22-18-21-10-16(24-18)13-7-8-20-9-14(13)12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,22,23)	PDB 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	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124400 (CHEMBL3623438) Show SMILES Clc1ccccc1-c1cnccc1-c1cnc(Nc2ccccc2)s1 Show InChI InChI=1S/C20H14ClN3S/c21-18-9-5-4-8-15(18)17-12-22-11-10-16(17)19-13-23-20(25-19)24-14-6-2-1-3-7-14/h1-13H,(H,23,24)	PDB 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	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124399 (CHEMBL3623437) Show SMILES C[C@@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN3S/c1-15(16-7-3-2-4-8-16)26-22-25-14-21(27-22)18-11-12-24-13-19(18)17-9-5-6-10-20(17)23/h2-15H,1H3,(H,25,26)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386437 (CHEMBL2047688) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C11H14N2O3S/c14-9-3-1-8(2-4-9)7-10(13-16)11(15)12-5-6-17/h1-4,10,14,17H,5-7H2,(H,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386449 (CHEMBL2047704) Show SMILES CN(C)c1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C13H18BrN3O2S/c1-17(2)12-4-3-9(7-10(12)14)8-11(16-19)13(18)15-5-6-20/h3-4,7,11,20H,5-6,8H2,1-2H3,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605526 (CHEMBL5188920) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1 Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124397 (CHEMBL3623435) Show SMILES CC(C)CNc1ncc(s1)-c1ccncc1-c1ccccc1Cl Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22)	PDB 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
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386452 (CHEMBL2047680) Show SMILES NN=C(Cc1ccc(O)c(Br)c1)C(=O)NCCS |w:1.0| Show InChI InChI=1S/C11H14BrN3O2S/c12-8-5-7(1-2-10(8)16)6-9(15-13)11(17)14-3-4-18/h1-2,5,16,18H,3-4,6,13H2,(H,14,17)	PDB MMDB NCI pathway 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
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605525 (CHEMBL5175191) Show SMILES Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccc(CN2CCNCC2)nc1 Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386446 (CHEMBL2047700) Show SMILES [O-][N+](=O)c1cc(Br)cc(CC(N=O)C(=O)NCCS)c1 Show InChI InChI=1S/C11H12BrN3O4S/c12-8-3-7(4-9(6-8)15(18)19)5-10(14-17)11(16)13-1-2-20/h3-4,6,10,20H,1-2,5H2,(H,13,16)	PDB MMDB NCI pathway 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
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386472 (CHEMBL2047681) Show SMILES COc1ccc(CC(=NN)C(=O)NCCS)cc1Br |w:8.8| Show InChI InChI=1S/C12H16BrN3O2S/c1-18-11-3-2-8(6-9(11)13)7-10(16-14)12(17)15-4-5-19/h2-3,6,19H,4-5,7,14H2,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605527 (CHEMBL5186248) Show SMILES CN1CCC(Cc2ccc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386438 (CHEMBL2047689) Show SMILES Fc1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C11H13FN2O2S/c12-9-3-1-8(2-4-9)7-10(14-16)11(15)13-5-6-17/h1-4,10,17H,5-7H2,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605535 (CHEMBL5198962) Show SMILES Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnn(CC2CCNCC2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605523 (CHEMBL5197199) Show SMILES CN1CCN(Cc2ncc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124353 (CHEMBL3623443) Show SMILES COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2S/c1-11(2)18(27)26-19-25-10-17(29-19)14-6-7-24-9-15(14)13-5-4-12(28-3)8-16(13)20(21,22)23/h4-11H,1-3H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50508013 (CHEMBL4541479) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(c2n1)S(C)(=O)=O)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605522 (CHEMBL5172952) Show SMILES Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnc(CN2CCNCC2)nc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50508013 (CHEMBL4541479) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(c2n1)S(C)(=O)=O)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of ERK5 in human HeLa cells by KiNativ profiling method				Eur J Med Chem 178: 530-543 (2019) Article DOI: 10.1016/j.ejmech.2019.05.057 BindingDB Entry DOI: 10.7270/Q23F4T0G
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386436 (CHEMBL2047687) Show SMILES SCCNC(=O)C(Cc1ccccc1)N=O Show InChI InChI=1S/C11H14N2O2S/c14-11(12-6-7-16)10(13-15)8-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2,(H,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605519 (CHEMBL5175007) Show SMILES Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnc(nc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605520 (CHEMBL5202924) Show SMILES Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccc(nc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124363 (CHEMBL3622874) Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C19H18F3N3OS/c1-3-7-24-18-25-11-17(27-18)14-6-8-23-10-15(14)13-5-4-12(26-2)9-16(13)19(20,21)22/h4-6,8-11H,3,7H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605528 (CHEMBL5175760) Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605521 (CHEMBL5173346) Show SMILES CN1CCC(CC1)Nc1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386462 (CHEMBL2047670) Show SMILES CO\N=C(/Cc1ccc(OC)c(Br)c1)C(=O)NCCS Show InChI InChI=1S/C13H17BrN2O3S/c1-18-12-4-3-9(7-10(12)14)8-11(16-19-2)13(17)15-5-6-20/h3-4,7,20H,5-6,8H2,1-2H3,(H,15,17)/b16-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124356 (CHEMBL3622867) Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl Show InChI InChI=1S/C17H16ClN3S/c1-2-8-20-17-21-11-16(22-17)13-7-9-19-10-14(13)12-5-3-4-6-15(12)18/h3-7,9-11H,2,8H2,1H3,(H,20,21)	PDB 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	15	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605536 (CHEMBL5208879) Show SMILES CN1CCC(Cn2cc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50117090 ((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br Show InChI InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,17-18,29-30H,5-8,11-12H2,(H,25,31)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18.6	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of semi-purified DNMT1				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50605533 (CHEMBL5180089) Show SMILES Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnn(c1)C1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair

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