Compile Data Set for Download or QSAR

Found 558 hits with Last Name = 'czerwinski' and Initial = 'r'   

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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged cytoplasmic ITK expressed in baculovirus expression system by KT236 probe based TR-FRET assay				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM25558 (4-arylamino-3-pyridinecarbonitrile, 4p | 5-(3,4-di...) Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	-40.1	70	n/a	n/a	n/a	n/a	7.2	22
Wyeth Research					Assay Description All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...				J Med Chem 51: 5958-63 (2008) Article DOI: 10.1021/jm800214a BindingDB Entry DOI: 10.7270/Q21V5C8K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged TXK using GEPLYWSFPAKKK as substrate measured every 60 secs for 1 hr by PK/LDH coupled spectrop...				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged cytoplasmic BMX expressed in baculovirus expression system by KT236 probe based TR-FRET assay				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	679	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length human His-tagged TEC by KT178 probe based TR-FRET assay				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM25543 (4-[(3-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)py...) Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Br)c1 Show InChI InChI=1S/C20H16BrN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	-30.0	4.60E+3	n/a	n/a	n/a	n/a	7.2	22
Wyeth Research					Assay Description All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...				J Med Chem 51: 5958-63 (2008) Article DOI: 10.1021/jm800214a BindingDB Entry DOI: 10.7270/Q21V5C8K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system by KT2...				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged cytoplasmic BLK expressed in baculovirus expression system by KT236 probe based TR-FRET assay				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged cytoplasmic BTK expressed in baculovirus expression system by KT236 probe based TR-FRET assay				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50501537 (CHEMBL4085582) Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H12N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h2-9H,1H2,(H,19,20)(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50501536 (CHEMBL4064018) Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)C=C |r| Show InChI InChI=1S/C16H19N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h2-3,6,10-11,13H,1,4-5,7-9H2,(H,17,18,19)/t11-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466668 (CHEMBL4280180) Show SMILES COCCc1c[nH]c2ncnc(-c3ccc4OCCN(C(=O)C=C)c4c3)c12 Show InChI InChI=1S/C20H20N4O3/c1-3-17(25)24-7-9-27-16-5-4-13(10-15(16)24)19-18-14(6-8-26-2)11-21-20(18)23-12-22-19/h3-5,10-12H,1,6-9H2,2H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466679 (CHEMBL4288086) Show SMILES COCCc1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12 Show InChI InChI=1S/C18H18N4O2/c1-3-15(23)22-14-6-4-5-12(9-14)17-16-13(7-8-24-2)10-19-18(16)21-11-20-17/h3-6,9-11H,1,7-8H2,2H3,(H,22,23)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466664 (CHEMBL4292341) Show SMILES OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r| Show InChI InChI=1S/C23H19N5O/c24-12-26-20-7-6-15-4-5-17(9-18(15)20)22-21-19(10-25-23(21)28-13-27-22)16-3-1-2-14(8-16)11-29/h1-5,8-10,13,20,26,29H,6-7,11H2,(H,25,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466676 (CHEMBL4279720) Show SMILES C[C@@]1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N |r| Show InChI InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466663 (CHEMBL4287845) Show SMILES N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]cc(-c3ccccc3)c12 |r| Show InChI InChI=1S/C22H17N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-11,13,19,25H,8-9H2,(H,24,26,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316524 (US11111242, Example 12 | US9617258, Example 12) Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...				J Med Chem 60: 1971-1993 (2017) Article DOI: 10.1021/acs.jmedchem.6b01694 BindingDB Entry DOI: 10.7270/Q2TX3JC2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466665 (CHEMBL4292320) Show SMILES CS(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H16N6O2S/c1-26(24,25)23-15-7-14(20-8-18)13-6-10(2-3-11(13)15)16-12-4-5-19-17(12)22-9-21-16/h2-6,9,14-15,20,23H,7H2,1H3,(H,19,21,22)/t14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466683 (CHEMBL4293778) Show SMILES CC1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N Show InChI InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466678 (CHEMBL4288935) Show SMILES COCCS(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C19H20N6O3S/c1-28-6-7-29(26,27)25-17-9-16(22-10-20)15-8-12(2-3-13(15)17)18-14-4-5-21-19(14)24-11-23-18/h2-5,8,11,16-17,22,25H,6-7,9H2,1H3,(H,21,23,24)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466658 (CHEMBL4294868) Show SMILES O[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-13-6-14(22)10-2-1-9(5-12(10)13)15-11-3-4-18-16(11)21-8-20-15/h1-5,8,13-14,19,22H,6H2,(H,18,20,21)/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50399459 (CHEMBL2179805) Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C |r| Show InChI InChI=1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-12,14-15,17-18,23H,1,7,10,13,16H2,2-4H3,(H,34,39)(H2,31,32,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Pfizer Inc. Curated by ChEMBL					Assay Description Covalent inhibition of ITK in presence of 1 mM ATP				J Med Chem 55: 10047-63 (2012) Article DOI: 10.1021/jm301190s BindingDB Entry DOI: 10.7270/Q2M32WWD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466684 (CHEMBL4281693) Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50399459 (CHEMBL2179805) Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C |r| Show InChI InChI=1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-12,14-15,17-18,23H,1,7,10,13,16H2,2-4H3,(H,34,39)(H2,31,32,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Pfizer Inc. Curated by ChEMBL					Assay Description Covalent inhibition of ITK in presence of 5 uM ATP				J Med Chem 55: 10047-63 (2012) Article DOI: 10.1021/jm301190s BindingDB Entry DOI: 10.7270/Q2M32WWD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50399459 (CHEMBL2179805) Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C |r| Show InChI InChI=1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-12,14-15,17-18,23H,1,7,10,13,16H2,2-4H3,(H,34,39)(H2,31,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BTK in presence of 50 uM ATP				J Med Chem 55: 10047-63 (2012) Article DOI: 10.1021/jm301190s BindingDB Entry DOI: 10.7270/Q2M32WWD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466660 (CHEMBL4281393) Show SMILES N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-7,9,14,19H,3-4H2,(H,18,20,21)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466662 (CHEMBL4284396) Show SMILES COCCc1c[nH]c2ncnc(-c3ccc4OC(F)(F)CN(C#N)c4c3)c12 Show InChI InChI=1S/C18H15F2N5O2/c1-26-5-4-12-7-22-17-15(12)16(23-10-24-17)11-2-3-14-13(6-11)25(9-21)8-18(19,20)27-14/h2-3,6-7,10H,4-5,8H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372991 (US10597366, Compound 63 | US9896418, Compound 63) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r| Show InChI InChI=1S/C17H11F4NO4S/c18-8-27(24,25)14-2-1-13(12-6-17(20,21)16(23)15(12)14)26-11-4-9(7-22)3-10(19)5-11/h1-5,16,23H,6,8H2/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372960 (US10597366, Compound 1 | US9896418, Compound 1) Show SMILES O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)F |r| Show InChI InChI=1S/C16H12ClF3O4S/c17-8-5-9(18)7-10(6-8)24-13-3-4-14(25(22,23)16(19)20)15-11(13)1-2-12(15)21/h3-7,12,16,21H,1-2H2/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50399460 (CHEMBL2179804) Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r| Show InChI InChI=1S/C29H31N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h4-5,7-8,10-13,15,17-18,23H,1,6,9,14,16H2,2-3H3,(H,33,38)(H2,30,31,32)/t23-/m1/s1	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BTK in presence of 50 uM ATP				J Med Chem 55: 10047-63 (2012) Article DOI: 10.1021/jm301190s BindingDB Entry DOI: 10.7270/Q2M32WWD
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373015 (US10597366, Compound 185 | US9896418, Compound 185) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C17H9F6NO4S/c18-9-3-8(7-24)4-10(5-9)28-12-1-2-13(29(26,27)17(21,22)23)14-11(12)6-16(19,20)15(14)25/h1-5,15,25H,6H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM282632 (5-(3-Chloro-5-fluorophenoxy)-4-(difluoromethyl)- 2...) Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)F)S(=O)(=O)C1(F)F Show InChI InChI=1S/C15H8ClF5O4S/c16-6-3-7(17)5-8(4-6)25-9-1-2-10-12(11(9)14(18)19)13(22)15(20,21)26(10,23)24/h1-5,13-14,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372964 (US10597366, Compound 8 | US9896418, Compound 8) Show SMILES OC1c2c(CC1(F)F)c(Oc1cc(F)cc(Cl)c1)ccc2S(=O)(=O)C(F)F Show InChI InChI=1S/C16H10ClF5O4S/c17-7-3-8(18)5-9(4-7)26-11-1-2-12(27(24,25)15(19)20)13-10(11)6-16(21,22)14(13)23/h1-5,14-15,23H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450475 (CHEMBL4168682) Show SMILES [O-][N+](=O)c1cc(ccc1Nc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372976 (US10597366, Compound 15 | US9896418, Compound 15) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)F |r| Show InChI InChI=1S/C17H10F5NO4S/c18-9-3-8(7-23)4-10(5-9)27-12-1-2-13(28(25,26)16(19)20)14-11(12)6-17(21,22)15(14)24/h1-5,15-16,24H,6H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50466676 (CHEMBL4279720) Show SMILES C[C@@]1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N |r| Show InChI InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK/LDH assay				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM282581 (4-Bromo-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-...) Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F Show InChI InChI=1S/C14H7BrClF3O4S/c15-12-9(23-8-4-6(16)3-7(17)5-8)1-2-10-11(12)13(20)14(18,19)24(10,21)22/h1-5,13,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM282598 (5-(3-Chloro-5-fluorophenoxy)-2,2-difluoro-3- hydro...) Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F Show InChI InChI=1S/C15H7ClF6O4S/c16-6-3-7(17)5-8(4-6)26-9-1-2-10-11(12(9)14(18,19)20)13(23)15(21,22)27(10,24)25/h1-5,13,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM282572 ((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...) Show SMILES O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r| Show InChI InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372979 (US10597366, Compound 17 | US9896418, Compound 17) Show SMILES OC1CCc2c1c(ccc2Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)F Show InChI InChI=1S/C16H12ClF3O4S/c17-8-5-9(18)7-10(6-8)24-13-3-4-14(25(22,23)16(19)20)15-11(13)1-2-12(15)21/h3-7,12,16,21H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466672 (CHEMBL4292010) Show SMILES N#CNC1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H13N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-7,9,14,19H,3-4H2,(H,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466682 (CHEMBL4278647) Show SMILES C[C@H]1Cc2ccc(cc2[C@@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H15N5/c1-10-6-11-2-3-12(7-14(11)15(10)20-8-18)16-13-4-5-19-17(13)22-9-21-16/h2-5,7,9-10,15,20H,6H2,1H3,(H,19,21,22)/t10-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466674 (CHEMBL4284952) Show SMILES N#CN[C@H]1CCOc2ccc(cc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-8-19-13-4-6-22-14-2-1-10(7-12(13)14)15-11-3-5-18-16(11)21-9-20-15/h1-3,5,7,9,13,19H,4,6H2,(H,18,20,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466659 (CHEMBL4288201) Show SMILES N#CNC1CCOc2ccc(cc12)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H13N5O/c17-8-19-13-4-6-22-14-2-1-10(7-12(13)14)15-11-3-5-18-16(11)21-9-20-15/h1-3,5,7,9,13,19H,4,6H2,(H,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50466683 (CHEMBL4293778) Show SMILES CC1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N Show InChI InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK/LDH assay				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373041 (US10597366, Compound 292 | US9896418, Compound 292) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12 |r| Show InChI InChI=1S/C17H11F4NO4S/c1-27(24,25)12-3-2-11(13-14(12)16(23)17(20,21)15(13)19)26-10-5-8(7-22)4-9(18)6-10/h2-6,15-16,23H,1H3/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of N-(3-Chlorophenyl-4,6-t2)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine binding to his-tagged HIF-2alpha PAS-B domain (unknown origin) measur...				J Med Chem 62: 6876-6893 (2019) Article DOI: 10.1021/acs.jmedchem.9b00719 BindingDB Entry DOI: 10.7270/Q2GX4FTX
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373040 (US10597366, Compound 289 | US9896418, Compound 289) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12 |r| Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of N-(3-Chlorophenyl-4,6-t2)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine binding to his-tagged HIF-2alpha PAS-B domain (unknown origin) measur...				J Med Chem 62: 6876-6893 (2019) Article DOI: 10.1021/acs.jmedchem.9b00719 BindingDB Entry DOI: 10.7270/Q2GX4FTX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50399471 (CHEMBL2179781) Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C#C)c3ncnc(N)c23)cc1 |r| Show InChI InChI=1S/C29H29N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h1,5,7-8,10-13,15,17-18,23H,6,9,14,16H2,2-3H3,(H,33,38)(H2,30,31,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Covalent inhibition of ITK in presence of 1 mM ATP				J Med Chem 55: 10047-63 (2012) Article DOI: 10.1021/jm301190s BindingDB Entry DOI: 10.7270/Q2M32WWD
					More data for this Ligand-Target Pair

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