Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'oki' and Initial = 'c'   

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
Peptide deformylase (Escherichia coli)	BDBM50137332 ((R)-2-Cyclopentylmethyl-N-[(S)-1-(4,5-difluoro-2-m...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCOCC1 Show InChI InChI=1S/C26H37F2N3O5/c1-26(2,3)24(29-25(34)18(15-31(35)16-32)12-17-6-4-5-7-17)23(33)19-13-20(27)21(28)14-22(19)30-8-10-36-11-9-30/h13-14,16-18,24,35H,4-12,15H2,1-3H3,(H,29,34)/t18-,24-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137327 ((R)-2-Cyclopentylmethyl-N-[(S)-1-(3-fluoro-4-morph...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCOCC2)c(F)c1 Show InChI InChI=1S/C26H38FN3O5/c1-26(2,3)24(28-25(33)20(16-30(34)17-31)14-18-6-4-5-7-18)23(32)19-8-9-22(21(27)15-19)29-10-12-35-13-11-29/h8-9,15,17-18,20,24,34H,4-7,10-14,16H2,1-3H3,(H,28,33)/t20-,24-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137345 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(OC)cc1)C(C)(C)C Show InChI InChI=1S/C21H32N2O5/c1-6-7-8-16(13-23(27)14-24)20(26)22-19(21(2,3)4)18(25)15-9-11-17(28-5)12-10-15/h9-12,14,16,19,27H,6-8,13H2,1-5H3,(H,22,26)/t16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137324 ((R)-2-Cyclopentylmethyl-N-{(S)-1-[4,5-difluoro-2-(...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCC(O)CC1 Show InChI InChI=1S/C27H39F2N3O5/c1-27(2,3)25(30-26(36)18(15-32(37)16-33)12-17-6-4-5-7-17)24(35)20-13-21(28)22(29)14-23(20)31-10-8-19(34)9-11-31/h13-14,16-19,25,34,37H,4-12,15H2,1-3H3,(H,30,36)/t18-,25-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137341 ((R)-2-Cyclopentylmethyl-N-((S)-1-{3-fluoro-4-[4-(2...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCO)CC2)c(F)c1 Show InChI InChI=1S/C28H43FN4O5/c1-28(2,3)26(30-27(37)22(18-33(38)19-35)16-20-6-4-5-7-20)25(36)21-8-9-24(23(29)17-21)32-12-10-31(11-13-32)14-15-34/h8-9,17,19-20,22,26,34,38H,4-7,10-16,18H2,1-3H3,(H,30,37)/t22-,26-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK2 (880 to end residues) expressed in baculovirus infected Sf21 cells using TK-substrate-biotin as substra...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50137334 ((R)-2-Cyclopentylmethyl-N-((S)-2,2-dimethyl-1-{4-[...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(cc1)N1CCN(CCN2CCOCC2)CC1 Show InChI InChI=1S/C32H51N5O5/c1-32(2,3)30(33-31(40)27(23-37(41)24-38)22-25-6-4-5-7-25)29(39)26-8-10-28(11-9-26)36-16-14-34(15-17-36)12-13-35-18-20-42-21-19-35/h8-11,24-25,27,30,41H,4-7,12-23H2,1-3H3,(H,33,40)/t27-,30-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137326 ((R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-N...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(cc1)N1CCN(CCO)CC1 Show InChI InChI=1S/C28H44N4O5/c1-28(2,3)26(29-27(36)23(19-32(37)20-34)18-21-6-4-5-7-21)25(35)22-8-10-24(11-9-22)31-14-12-30(13-15-31)16-17-33/h8-11,20-21,23,26,33,37H,4-7,12-19H2,1-3H3,(H,29,36)/t23-,26-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137342 ((R)-2-Cyclopentylmethyl-N-((S)-1-{4,5-difluoro-2-[...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCN(CCO)CC1 Show InChI InChI=1S/C28H42F2N4O5/c1-28(2,3)26(31-27(38)20(17-34(39)18-36)14-19-6-4-5-7-19)25(37)21-15-22(29)23(30)16-24(21)33-10-8-32(9-11-33)12-13-35/h15-16,18-20,26,35,39H,4-14,17H2,1-3H3,(H,31,38)/t20-,26-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137339 ((R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-N...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(cc1)N1CCC(O)CC1 Show InChI InChI=1S/C27H41N3O5/c1-27(2,3)25(28-26(34)21(17-30(35)18-31)16-19-6-4-5-7-19)24(33)20-8-10-22(11-9-20)29-14-12-23(32)13-15-29/h8-11,18-19,21,23,25,32,35H,4-7,12-17H2,1-3H3,(H,28,34)/t21-,25-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137329 ((R)-2-Cyclopentylmethyl-N-((S)-1-{4,5-difluoro-2-[...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCN(CCN2CCOCC2)CC1 Show InChI InChI=1S/C32H49F2N5O5/c1-32(2,3)30(35-31(42)24(21-39(43)22-40)18-23-6-4-5-7-23)29(41)25-19-26(33)27(34)20-28(25)38-12-10-36(11-13-38)8-9-37-14-16-44-17-15-37/h19-20,22-24,30,43H,4-18,21H2,1-3H3,(H,35,42)/t24-,30-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137316 ((R)-2-Cyclopentylmethyl-N-((S)-1-{4,5-difluoro-2-[...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCN(CCN2CCCC2)CC1 Show InChI InChI=1S/C32H49F2N5O4/c1-32(2,3)30(35-31(42)24(21-39(43)22-40)18-23-8-4-5-9-23)29(41)25-19-26(33)27(34)20-28(25)38-16-14-37(15-17-38)13-12-36-10-6-7-11-36/h19-20,22-24,30,43H,4-18,21H2,1-3H3,(H,35,42)/t24-,30-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137328 ((R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-N...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C22H32N2O5/c1-22(2,3)20(19(27)16-8-10-18(26)11-9-16)23-21(28)17(13-24(29)14-25)12-15-6-4-5-7-15/h8-11,14-15,17,20,26,29H,4-7,12-13H2,1-3H3,(H,23,28)/t17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137320 ((R)-2-Cyclopentylmethyl-N-{(S)-1-[4,5-difluoro-2-(...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCC[C@H]1CO Show InChI InChI=1S/C27H39F2N3O5/c1-27(2,3)25(30-26(36)18(14-31(37)16-34)11-17-7-4-5-8-17)24(35)20-12-21(28)22(29)13-23(20)32-10-6-9-19(32)15-33/h12-13,16-19,25,33,37H,4-11,14-15H2,1-3H3,(H,30,36)/t18-,19+,25-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137333 ((R)-2-Cyclopentylmethyl-N-{(S)-1-[3-fluoro-4-((S)-...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCC[C@H]2CO)c(F)c1 Show InChI InChI=1S/C27H40FN3O5/c1-27(2,3)25(29-26(35)20(15-30(36)17-33)13-18-7-4-5-8-18)24(34)19-10-11-23(22(28)14-19)31-12-6-9-21(31)16-32/h10-11,14,17-18,20-21,25,32,36H,4-9,12-13,15-16H2,1-3H3,(H,29,35)/t20-,21+,25-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137314 ((R)-2-Cyclopentylmethyl-N-{(S)-1-[3-fluoro-4-(4-hy...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCC(O)CC2)c(F)c1 Show InChI InChI=1S/C27H40FN3O5/c1-27(2,3)25(29-26(35)20(16-31(36)17-32)14-18-6-4-5-7-18)24(34)19-8-9-23(22(28)15-19)30-12-10-21(33)11-13-30/h8-9,15,17-18,20-21,25,33,36H,4-7,10-14,16H2,1-3H3,(H,29,35)/t20-,25-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545650 (Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...) Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK2 (880 to end residues) expressed in baculovirus infected Sf21 cells using TK-substrate-biotin as substra...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50545650 (Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...) Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrat...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrat...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50137348 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(F)cc1)C(C)(C)C Show InChI InChI=1S/C20H29FN2O4/c1-5-6-7-15(12-23(27)13-24)19(26)22-18(20(2,3)4)17(25)14-8-10-16(21)11-9-14/h8-11,13,15,18,27H,5-7,12H2,1-4H3,(H,22,26)/t15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137346 ((R)-2-Cyclopentylmethyl-N-[(S)-1-(4-fluoro-benzoyl...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H31FN2O4/c1-22(2,3)20(19(27)16-8-10-18(23)11-9-16)24-21(28)17(13-25(29)14-26)12-15-6-4-5-7-15/h8-11,14-15,17,20,29H,4-7,12-13H2,1-3H3,(H,24,28)/t17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137319 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccn1)C(C)(C)C Show InChI InChI=1S/C19H29N3O4/c1-5-6-9-14(12-22(26)13-23)18(25)21-17(19(2,3)4)16(24)15-10-7-8-11-20-15/h7-8,10-11,13-14,17,26H,5-6,9,12H2,1-4H3,(H,21,25)/t14-,17-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137323 ((R)-2-Cyclopentylmethyl-N-((S)-2,2-dimethyl-1-{4-[...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(cc1)N1CCN(CCN2CCCC2)CC1 Show InChI InChI=1S/C32H51N5O4/c1-32(2,3)30(33-31(40)27(23-37(41)24-38)22-25-8-4-5-9-25)29(39)26-10-12-28(13-11-26)36-20-18-35(19-21-36)17-16-34-14-6-7-15-34/h10-13,24-25,27,30,41H,4-9,14-23H2,1-3H3,(H,33,40)/t27-,30-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137318 ((R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-N...) Show SMILES COc1ccc(cc1)C(=O)[C@@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(C)(C)C Show InChI InChI=1S/C23H34N2O5/c1-23(2,3)21(20(27)17-9-11-19(30-4)12-10-17)24-22(28)18(14-25(29)15-26)13-16-7-5-6-8-16/h9-12,15-16,18,21,29H,5-8,13-14H2,1-4H3,(H,24,28)/t18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137330 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccc1)C(C)(C)C Show InChI InChI=1S/C20H30N2O4/c1-5-6-10-16(13-22(26)14-23)19(25)21-18(20(2,3)4)17(24)15-11-8-7-9-12-15/h7-9,11-12,14,16,18,26H,5-6,10,13H2,1-4H3,(H,21,25)/t16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137313 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1cc2ccccc2o1)C(C)(C)C Show InChI InChI=1S/C22H30N2O5/c1-5-6-9-16(13-24(28)14-25)21(27)23-20(22(2,3)4)19(26)18-12-15-10-7-8-11-17(15)29-18/h7-8,10-12,14,16,20,28H,5-6,9,13H2,1-4H3,(H,23,27)/t16-,20-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137347 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(NS(C)(=O)=O)cc1)C(C)(C)C Show InChI InChI=1S/C21H33N3O6S/c1-6-7-8-16(13-24(28)14-25)20(27)22-19(21(2,3)4)18(26)15-9-11-17(12-10-15)23-31(5,29)30/h9-12,14,16,19,23,28H,6-8,13H2,1-5H3,(H,22,27)/t16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137335 ((R)-N-[(S)-1-(Benzofuran-2-carbonyl)-2,2-dimethyl-...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C24H32N2O5/c1-24(2,3)22(21(28)20-13-17-10-6-7-11-19(17)31-20)25-23(29)18(14-26(30)15-27)12-16-8-4-5-9-16/h6-7,10-11,13,15-16,18,22,30H,4-5,8-9,12,14H2,1-3H3,(H,25,29)/t18-,22-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137340 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccco1)C(C)(C)C Show InChI InChI=1S/C18H28N2O5/c1-5-6-8-13(11-20(24)12-21)17(23)19-16(18(2,3)4)15(22)14-9-7-10-25-14/h7,9-10,12-13,16,24H,5-6,8,11H2,1-4H3,(H,19,23)/t13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137331 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(cc1)N1CCOCC1)C(C)(C)C Show InChI InChI=1S/C24H37N3O5/c1-5-6-7-19(16-27(31)17-28)23(30)25-22(24(2,3)4)21(29)18-8-10-20(11-9-18)26-12-14-32-15-13-26/h8-11,17,19,22,31H,5-7,12-16H2,1-4H3,(H,25,30)/t19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137317 ((R)-2-Cyclopentylmethyl-N-[(S)-2,2-dimethyl-1-(4-m...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H39N3O5/c1-26(2,3)24(23(31)20-8-10-22(11-9-20)28-12-14-34-15-13-28)27-25(32)21(17-29(33)18-30)16-19-6-4-5-7-19/h8-11,18-19,21,24,33H,4-7,12-17H2,1-3H3,(H,27,32)/t21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137337 ((R)-2-Cyclopentylmethyl-N-((S)-1-{3-fluoro-4-[4-(2...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCN3CCOCC3)CC2)c(F)c1 Show InChI InChI=1S/C32H50FN5O5/c1-32(2,3)30(34-31(41)26(22-38(42)23-39)20-24-6-4-5-7-24)29(40)25-8-9-28(27(33)21-25)37-14-12-35(13-15-37)10-11-36-16-18-43-19-17-36/h8-9,21,23-24,26,30,42H,4-7,10-20,22H2,1-3H3,(H,34,41)/t26-,30-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109867 (US8609647, 27 | US8609647, 37 | US8609647, 5) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H16F2N6O/c17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14/h3,6,10H,1-2,4,7-9H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137317 ((R)-2-Cyclopentylmethyl-N-[(S)-2,2-dimethyl-1-(4-m...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H39N3O5/c1-26(2,3)24(23(31)20-8-10-22(11-9-20)28-12-14-34-15-13-28)27-25(32)21(17-29(33)18-30)16-19-6-4-5-7-19/h8-11,18-19,21,24,33H,4-7,12-17H2,1-3H3,(H,27,32)/t21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50484545 (CHEMBL1933935) Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NOC[C@H](O)CO)c2C1 |r| Show InChI InChI=1S/C20H23FIN3O5S/c1-20(2)6-12-15(17(28)25-30-8-11(27)7-26)19(31-16(12)18(29)23-9-20)24-14-4-3-10(22)5-13(14)21/h3-5,11,24,26-27H,6-9H2,1-2H3,(H,23,29)(H,25,28)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay				Bioorg Med Chem Lett 22: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2011.10.105 BindingDB Entry DOI: 10.7270/Q28G8PJD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109867 (US8609647, 27 | US8609647, 37 | US8609647, 5) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H16F2N6O/c17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14/h3,6,10H,1-2,4,7-9H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109863 (US8609647, 1 | US8609647, 15 | US8609647, 2 | US86...) Show SMILES CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C17H20N6O/c1-12-9-23(14(24)3-6-18)17(12)5-2-8-22(10-17)16-13-4-7-19-15(13)20-11-21-16/h4,7,11-12H,2-3,5,8-10H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50484549 (CHEMBL1933934) Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NOCCO)c2C1 Show InChI InChI=1S/C19H21FIN3O4S/c1-19(2)8-11-14(16(26)24-28-6-5-25)18(29-15(11)17(27)22-9-19)23-13-4-3-10(21)7-12(13)20/h3-4,7,23,25H,5-6,8-9H2,1-2H3,(H,22,27)(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay				Bioorg Med Chem Lett 22: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2011.10.105 BindingDB Entry DOI: 10.7270/Q28G8PJD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109863 (US8609647, 1 | US8609647, 15 | US8609647, 2 | US86...) Show SMILES CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C17H20N6O/c1-12-9-23(14(24)3-6-18)17(12)5-2-8-22(10-17)16-13-4-7-19-15(13)20-11-21-16/h4,7,11-12H,2-3,5,8-10H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137344 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(cc1)C#N)C(C)(C)C Show InChI InChI=1S/C21H29N3O4/c1-5-6-7-17(13-24(28)14-25)20(27)23-19(21(2,3)4)18(26)16-10-8-15(12-22)9-11-16/h8-11,14,17,19,28H,5-7,13H2,1-4H3,(H,23,27)/t17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50137338 ((R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-N...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(cc1)N1CCC[C@H]1CO Show InChI InChI=1S/C27H41N3O5/c1-27(2,3)25(28-26(34)21(16-29(35)18-32)15-19-7-4-5-8-19)24(33)20-10-12-22(13-11-20)30-14-6-9-23(30)17-31/h10-13,18-19,21,23,25,31,35H,4-9,14-17H2,1-3H3,(H,28,34)/t21-,23+,25-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50484550 (CHEMBL1933937) Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[C@@H]3CCNC3)c2C1 |r| Show InChI InChI=1S/C21H24FIN4O2S/c1-21(2)8-13-16(18(28)26-12-5-6-24-9-12)20(30-17(13)19(29)25-10-21)27-15-4-3-11(23)7-14(15)22/h3-4,7,12,24,27H,5-6,8-10H2,1-2H3,(H,25,29)(H,26,28)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay				Bioorg Med Chem Lett 22: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2011.10.105 BindingDB Entry DOI: 10.7270/Q28G8PJD
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137315 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(O)cc1)C(C)(C)C Show InChI InChI=1S/C20H30N2O5/c1-5-6-7-15(12-22(27)13-23)19(26)21-18(20(2,3)4)17(25)14-8-10-16(24)11-9-14/h8-11,13,15,18,24,27H,5-7,12H2,1-4H3,(H,21,26)/t15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137325 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(NC(C)=O)cc1)C(C)(C)C Show InChI InChI=1S/C22H33N3O5/c1-6-7-8-17(13-25(30)14-26)21(29)24-20(22(3,4)5)19(28)16-9-11-18(12-10-16)23-15(2)27/h9-12,14,17,20,30H,6-8,13H2,1-5H3,(H,23,27)(H,24,29)/t17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137336 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(N)cc1)C(C)(C)C Show InChI InChI=1S/C20H31N3O4/c1-5-6-7-15(12-23(27)13-24)19(26)22-18(20(2,3)4)17(25)14-8-10-16(21)11-9-14/h8-11,13,15,18,27H,5-7,12,21H2,1-4H3,(H,22,26)/t15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50137322 ((R)-2-Cyclopentylmethyl-N-((S)-1-{3-fluoro-4-[4-(2...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCN3CCCC3)CC2)c(F)c1 Show InChI InChI=1S/C32H50FN5O4/c1-32(2,3)30(34-31(41)26(22-38(42)23-39)20-24-8-4-5-9-24)29(40)25-10-11-28(27(33)21-25)37-18-16-36(17-19-37)15-14-35-12-6-7-13-35/h10-11,21,23-24,26,30,42H,4-9,12-20,22H2,1-3H3,(H,34,41)/t26-,30-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50484551 (CHEMBL1933928) Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3Cl)c(C(=O)NOC[C@H](O)CO)c2C1 |r| Show InChI InChI=1S/C20H23ClIN3O5S/c1-20(2)6-12-15(17(28)25-30-8-11(27)7-26)19(31-16(12)18(29)23-9-20)24-14-4-3-10(22)5-13(14)21/h3-5,11,24,26-27H,6-9H2,1-2H3,(H,23,29)(H,25,28)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay				Bioorg Med Chem Lett 22: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2011.10.105 BindingDB Entry DOI: 10.7270/Q28G8PJD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50484543 (CHEMBL1933932) Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(N)=O)c2C1 Show InChI InChI=1S/C17H17FIN3O2S/c1-17(2)6-9-12(14(20)23)16(25-13(9)15(24)21-7-17)22-11-4-3-8(19)5-10(11)18/h3-5,22H,6-7H2,1-2H3,(H2,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay				Bioorg Med Chem Lett 22: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2011.10.105 BindingDB Entry DOI: 10.7270/Q28G8PJD
					More data for this Ligand-Target Pair

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