Compile Data Set for Download or QSAR

Found 710 hits with Last Name = 'hashimoto' and Initial = 'h'   

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
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50104398 ((R)-2-Methyl-6-(4-nitro-phenylsulfanyl)-tetrahydro...) Show SMILES CC1SC(Sc2ccc(cc2)[N+]([O-])=O)C(O)[C@H](O)C1O Show InChI InChI=1S/C12H15NO5S2/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6?,9?,10-,11?,12?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50355656 (CHEMBL1910970) Show SMILES NC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4| Show InChI InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355665 (CHEMBL1910971) Show SMILES NC(CCl)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4| Show InChI InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355656 (CHEMBL1910970) Show SMILES NC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4| Show InChI InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50355657 (CHEMBL1910972 | CHEMBL1962361) Show SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50355665 (CHEMBL1910971) Show SMILES NC(CCl)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4| Show InChI InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50287679 (CHEMBL61555 | Sodium; benzyl 3,4,5-trihydroxy-6-me...) Show SMILES CC1SC(OP([O-])(=O)OCc2ccccc2)C(O)C(O)C1O Show InChI InChI=1S/C13H19O7PS/c1-8-10(14)11(15)12(16)13(22-8)20-21(17,18)19-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3,(H,17,18)/p-1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50104411 ((R)-6-Methyl-tetrahydro-thiopyran-2,3,4,5-tetraol ...) Show SMILES CC1SC(O)C(O)[C@H](O)C1O Show InChI InChI=1S/C6H12O4S/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2?,3?,4-,5?,6?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50355657 (CHEMBL1910972 | CHEMBL1962361) Show SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50287680 ((3R,4S,5S)-2-Methyl-6-(4-nitro-phenoxy)-tetrahydro...) Show SMILES CC1SC(Oc2ccc(cc2)[N+]([O-])=O)C(O)C(O)C1O Show InChI InChI=1S/C12H15NO6S/c1-6-9(14)10(15)11(16)12(20-6)19-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355657 (CHEMBL1910972 | CHEMBL1962361) Show SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50287682 ((3S,4S,5R)-2-Cyclohexyloxy-6-methyl-tetrahydro-thi...) Show SMILES CC1SC(OC2CCCCC2)C(O)C(O)C1O Show InChI InChI=1S/C12H22O4S/c1-7-9(13)10(14)11(15)12(17-7)16-8-5-3-2-4-6-8/h7-15H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50287681 (CHEMBL59958 | Sodium; Phosphoric acid mono-((3S,4S...) Show SMILES CC1SC(OP([O-])([O-])=O)C(O)C(O)C1O Show InChI InChI=1S/C6H13O7PS/c1-2-3(7)4(8)5(9)6(15-2)13-14(10,11)12/h2-9H,1H3,(H2,10,11,12)/p-2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.06E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50287683 ((3S,4S,5R)-2-Methoxy-6-methyl-tetrahydro-thiopyran...) Show SMILES COC1SC(C)C(O)C(O)C1O Show InChI InChI=1S/C7H14O4S/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50287678 ((3R,4S,5S)-2-Methyl-6-methylsulfanyl-tetrahydro-th...) Show SMILES CSC1SC(C)C(O)C(O)C1O Show InChI InChI=1S/C7H14O3S2/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis				Bioorg Med Chem Lett 6: 1989-1992 (1996) Article DOI: 10.1016/0960-894X(96)00356-3 BindingDB Entry DOI: 10.7270/Q2PR7W0T
					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)
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)
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532190 (CHEMBL4452717) Show SMILES COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(OCCN2CCN(C)CC2)ccn1 Show InChI InChI=1S/C33H40N4O4/c1-35-13-15-36(16-14-35)17-18-40-29-11-12-34-30(20-29)33(38)37-21-28(22-37)27-9-10-31(32(19-27)39-2)41-23-24-3-5-25(6-4-24)26-7-8-26/h3-6,9-12,19-20,26,28H,7-8,13-18,21-23H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					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
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
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
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532193 (CHEMBL4539279) Show SMILES CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCN3C[C@@H](O)[C@H](O)C3)ccn2)cc1 |r| Show InChI InChI=1S/C31H37N3O6/c1-3-21-4-6-22(7-5-21)20-40-29-9-8-23(14-30(29)38-2)24-16-34(17-24)31(37)26-15-25(10-11-32-26)39-13-12-33-18-27(35)28(36)19-33/h4-11,14-15,24,27-28,35-36H,3,12-13,16-20H2,1-2H3/t27-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50370763 (CHEMBL1203926) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1 Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV NS5B RNA polymerase				J Med Chem 49: 6950-3 (2006) Article DOI: 10.1021/jm0610245 BindingDB Entry DOI: 10.7270/Q2XD12GM
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50503530 (CHEMBL4437645) Show SMILES CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCO)ccn2)cc1 Show InChI InChI=1S/C27H30N2O5/c1-3-19-4-6-20(7-5-19)18-34-25-9-8-21(14-26(25)32-2)22-16-29(17-22)27(31)24-15-23(10-11-28-24)33-13-12-30/h4-11,14-15,22,30H,3,12-13,16-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 115-118 (2019) Article DOI: 10.1016/j.bmcl.2018.10.051 BindingDB Entry DOI: 10.7270/Q2RN3C4G
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50503530 (CHEMBL4437645) Show SMILES CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCO)ccn2)cc1 Show InChI InChI=1S/C27H30N2O5/c1-3-19-4-6-20(7-5-19)18-34-25-9-8-21(14-26(25)32-2)22-16-29(17-22)27(31)24-15-23(10-11-28-24)33-13-12-30/h4-11,14-15,22,30H,3,12-13,16-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109907 (US8609647, 52) Show SMILES O=C(NCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C17H21N7O/c18-6-8-20-16(25)24-10-2-5-17(24)4-1-9-23(11-17)15-13-3-7-19-14(13)21-12-22-15/h3,7,12H,1-2,4-5,8-11H2,(H,20,25)(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532178 (CHEMBL4460662) Show SMILES CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCN3C[C@H](O)[C@H](O)C3)ccn2)cc1 |r| Show InChI InChI=1S/C31H37N3O6/c1-3-21-4-6-22(7-5-21)20-40-29-9-8-23(14-30(29)38-2)24-16-34(17-24)31(37)26-15-25(10-11-32-26)39-13-12-33-18-27(35)28(36)19-33/h4-11,14-15,24,27-28,35-36H,3,12-13,16-20H2,1-2H3/t27-,28+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109866 (US8609647, 26 | US8609647, 4) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H14F2N6O/c16-15(17)8-23(11(24)1-4-18)14(15)3-6-22(7-14)13-10-2-5-19-12(10)20-9-21-13/h2,5,9H,1,3,6-8H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532197 (CHEMBL4522278) Show SMILES COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COCC(CO)CO)ccn1 Show InChI InChI=1S/C31H36N2O6/c1-37-30-13-26(8-9-29(30)39-20-21-2-4-24(5-3-21)25-6-7-25)27-14-33(15-27)31(36)28-12-22(10-11-32-28)18-38-19-23(16-34)17-35/h2-5,8-13,23,25,27,34-35H,6-7,14-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109866 (US8609647, 26 | US8609647, 4) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H14F2N6O/c16-15(17)8-23(11(24)1-4-18)14(15)3-6-22(7-14)13-10-2-5-19-12(10)20-9-21-13/h2,5,9H,1,3,6-8H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50191541 (2-[4-(4'-chloro-4-methylcarbamoylbiphenyl-2-ylmeth...) Show SMILES CNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H31ClFN3O4/c1-38-34(41)22-9-14-28(21-7-11-25(36)12-8-21)24(17-22)20-44-27-13-15-29(30(37)19-27)33-39-31-18-23(35(42)43)10-16-32(31)40(33)26-5-3-2-4-6-26/h7-19,26H,2-6,20H2,1H3,(H,38,41)(H,42,43)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase				J Med Chem 49: 4721-36 (2006) Article DOI: 10.1021/jm060269e BindingDB Entry DOI: 10.7270/Q2FN15TD
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50191533 (2-[4-(4'-chloro-4-dimethylcarbamoylbiphenyl-2-ylme...) Show SMILES CN(C)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C36H33ClFN3O4/c1-40(2)35(42)23-10-15-29(22-8-12-26(37)13-9-22)25(18-23)21-45-28-14-16-30(31(38)20-28)34-39-32-19-24(36(43)44)11-17-33(32)41(34)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,43,44)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase				J Med Chem 49: 4721-36 (2006) Article DOI: 10.1021/jm060269e BindingDB Entry DOI: 10.7270/Q2FN15TD
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532180 (CHEMBL4473704) Show SMILES COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(OCCN2CCOCC2)ccn1 Show InChI InChI=1S/C32H37N3O5/c1-37-31-18-26(8-9-30(31)40-22-23-2-4-24(5-3-23)25-6-7-25)27-20-35(21-27)32(36)29-19-28(10-11-33-29)39-17-14-34-12-15-38-16-13-34/h2-5,8-11,18-19,25,27H,6-7,12-17,20-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532183 (CHEMBL4543929) Show SMILES COc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCO)ccn2)cc1 Show InChI InChI=1S/C26H28N2O6/c1-31-21-6-3-18(4-7-21)17-34-24-8-5-19(13-25(24)32-2)20-15-28(16-20)26(30)23-14-22(9-10-27-23)33-12-11-29/h3-10,13-14,20,29H,11-12,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532194 (CHEMBL4575001) Show SMILES COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(OCCO)ccn1 Show InChI InChI=1S/C28H30N2O5/c1-33-27-14-22(8-9-26(27)35-18-19-2-4-20(5-3-19)21-6-7-21)23-16-30(17-23)28(32)25-15-24(10-11-29-25)34-13-12-31/h2-5,8-11,14-15,21,23,31H,6-7,12-13,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110994 (4-[2-Methyl-4-(5-methyl-thiophen-2-yl)-oxazol-5-yl...) Show SMILES Cc1ccc(s1)-c1nc(C)oc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N2O3S2/c1-9-3-8-13(21-9)14-15(20-10(2)17-14)11-4-6-12(7-5-11)22(16,18)19/h3-8H,1-2H3,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human purified Prostaglandin G/H synthase 2				J Med Chem 45: 1511-7 (2002) BindingDB Entry DOI: 10.7270/Q2H995XZ
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50191549 (2-[4-(4'-chloro-4-isopropylcarbamoylbiphenyl-2-ylm...) Show SMILES CC(C)NC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C37H35ClFN3O4/c1-22(2)40-36(43)24-10-15-30(23-8-12-27(38)13-9-23)26(18-24)21-46-29-14-16-31(32(39)20-29)35-41-33-19-25(37(44)45)11-17-34(33)42(35)28-6-4-3-5-7-28/h8-20,22,28H,3-7,21H2,1-2H3,(H,40,43)(H,44,45)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase				J Med Chem 49: 4721-36 (2006) Article DOI: 10.1021/jm060269e BindingDB Entry DOI: 10.7270/Q2FN15TD
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532188 (CHEMBL4570496) Show SMILES CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCN3CCOCC3)ccn2)cc1 Show InChI InChI=1S/C31H37N3O5/c1-3-23-4-6-24(7-5-23)22-39-29-9-8-25(18-30(29)36-2)26-20-34(21-26)31(35)28-19-27(10-11-32-28)38-17-14-33-12-15-37-16-13-33/h4-11,18-19,26H,3,12-17,20-22H2,1-2H3	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
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50532195 (CHEMBL4555993) Show SMILES COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@H](O)CO)ccn1 |r| Show InChI InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m1/s1	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
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 873-877 (2019) Article DOI: 10.1016/j.bmcl.2019.02.006 BindingDB Entry DOI: 10.7270/Q22F7RXK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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	13	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
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50191505 (2-[4-(4-carbamoyl-4'-chlorobiphenyl-2-ylmethoxy)ph...) Show SMILES NC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C34H30ClN3O4/c35-26-12-6-21(7-13-26)29-16-10-23(32(36)39)18-25(29)20-42-28-14-8-22(9-15-28)33-37-30-19-24(34(40)41)11-17-31(30)38(33)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H2,36,39)(H,40,41)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase				J Med Chem 49: 4721-36 (2006) Article DOI: 10.1021/jm060269e BindingDB Entry DOI: 10.7270/Q2FN15TD
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50158838 (2-{4-[2-(4-chlorophenyl)-5-(4-hydroxyhexahydro-1-p...) Show SMILES OC1CCN(CC1)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C39H37ClFN3O5/c40-28-10-6-24(7-11-28)32-13-8-25(38(46)43-18-16-30(45)17-19-43)20-27(32)23-49-31-12-14-33(34(41)22-31)37-42-35-21-26(39(47)48)9-15-36(35)44(37)29-4-2-1-3-5-29/h6-15,20-22,29-30,45H,1-5,16-19,23H2,(H,47,48)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase				J Med Chem 49: 4721-36 (2006) Article DOI: 10.1021/jm060269e BindingDB Entry DOI: 10.7270/Q2FN15TD
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50191508 (2-{4-[4'-chloro-4-(morpholine-4-carbonyl)biphenyl-...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)N2CCOCC2)cc1F Show InChI InChI=1S/C38H35ClFN3O5/c39-28-10-6-24(7-11-28)31-13-8-25(37(44)42-16-18-47-19-17-42)20-27(31)23-48-30-12-14-32(33(40)22-30)36-41-34-21-26(38(45)46)9-15-35(34)43(36)29-4-2-1-3-5-29/h6-15,20-22,29H,1-5,16-19,23H2,(H,45,46)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase				J Med Chem 49: 4721-36 (2006) Article DOI: 10.1021/jm060269e BindingDB Entry DOI: 10.7270/Q2FN15TD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 710 total )  |  Next  |  Last  >>

Jump to: