Compile Data Set for Download or QSAR

Found 5343 hits with Last Name = 'brown' and Initial = 'mf'   

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	0.0269	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					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	0.131	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					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	0.545	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					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	0.679	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					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	6.31	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					More data for this Ligand-Target Pair
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
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	32.4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					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	62.3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	250	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 human norepinephrine transporter				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	1.35E+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 human MMP12				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					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
Collagenase 3 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	7.73E+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 human MMP13				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP7				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP3				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP2				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP1				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human TACE				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-26 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 human MMP26				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-25 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 human MMP25				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-24 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP24				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-20 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP20				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-15 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 human MMP15				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Stromelysin-2 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP10				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP8				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP9				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 human MMP14				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					More data for this Ligand-Target Pair
Matrix metalloproteinase-16 (Homo sapiens (Human))	BDBM50365344 (CHEMBL1956115) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/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	>1.00E+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 human MMP16				J Med Chem 55: 914-23 (2012) Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W
					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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM135525 (US8853258, 176) Show SMILES CC(CCc1ccc(cc1)-c1ccc2OCOc2c1)(C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C19H21NO6S/c1-19(18(21)20-22,27(2,23)24)10-9-13-3-5-14(6-4-13)15-7-8-16-17(11-15)26-12-25-16/h3-8,11,22H,9-10,12H2,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0303	n/a	n/a	n/a	n/a	8.0	n/a
Pfizer Inc. US Patent					Assay Description IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...				US Patent US8853258 (2014) BindingDB Entry DOI: 10.7270/Q25M64DP
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM135565 (US8853258, 218) Show SMILES C[C@@](CCc1ccc(cc1)-c1cc2ccccc2[nH]1)(C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)12-11-14-7-9-15(10-8-14)18-13-16-5-3-4-6-17(16)21-18/h3-10,13,21,24H,11-12H2,1-2H3,(H,22,23)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	8.0	n/a
Pfizer Inc. US Patent					Assay Description IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...				US Patent US8853258 (2014) BindingDB Entry DOI: 10.7270/Q25M64DP
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM135527 (US8853258, 178) Show SMILES CC(CCc1ccc(cc1F)-c1ccc(O)cc1)(C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C18H20FNO5S/c1-18(17(22)20-23,26(2,24)25)10-9-13-3-4-14(11-16(13)19)12-5-7-15(21)8-6-12/h3-8,11,21,23H,9-10H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0592	n/a	n/a	n/a	n/a	8.0	n/a
Pfizer Inc. US Patent					Assay Description IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...				US Patent US8853258 (2014) BindingDB Entry DOI: 10.7270/Q25M64DP
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM135477 (US8853258, 44) Show SMILES CC(CCc1ccc(cc1)-c1ccc(Cl)cc1)(C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C18H20ClNO4S/c1-18(17(21)20-22,25(2,23)24)12-11-13-3-5-14(6-4-13)15-7-9-16(19)10-8-15/h3-10,22H,11-12H2,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0669	n/a	n/a	n/a	n/a	8.0	n/a
Pfizer Inc. US Patent					Assay Description IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...				US Patent US8853258 (2014) BindingDB Entry DOI: 10.7270/Q25M64DP
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM135531 (US8853258, 182) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0674	n/a	n/a	n/a	n/a	8.0	n/a
Pfizer Inc. US Patent					Assay Description IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...				US Patent US8853258 (2014) BindingDB Entry DOI: 10.7270/Q25M64DP
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM135562 (US8853258, 215) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccc2OCOc2c1)(C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C19H21NO6S/c1-19(18(21)20-22,27(2,23)24)10-9-13-3-5-14(6-4-13)15-7-8-16-17(11-15)26-12-25-16/h3-8,11,22H,9-10,12H2,1-2H3,(H,20,21)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0842	n/a	n/a	n/a	n/a	8.0	n/a
Pfizer Inc. US Patent					Assay Description IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...				US Patent US8853258 (2014) BindingDB Entry DOI: 10.7270/Q25M64DP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316711 (5-{2-[(1-acryloylpiperidin-4-yl)amino]-5H-pyrrolo[...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(-c3cncc(c3)C#N)c2n1 Show InChI InChI=1S/C20H19N7O/c1-2-18(28)27-5-3-15(4-6-27)25-17-12-24-20-19(26-17)16(11-23-20)14-7-13(8-21)9-22-10-14/h2,7,9-12,15H,1,3-6H2,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316746 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-fluorocyc...) Show SMILES FC1CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 |(-8.91,2.66,;-7.82,1.57,;-6.28,1.57,;-6.28,.03,;-7.82,.03,;-5.19,-1.06,;-3.7,-.66,;-3.3,.83,;-2.61,-1.75,;-2.77,-3.28,;-1.37,-3.91,;-.33,-2.76,;1.21,-2.76,;1.98,-1.43,;1.21,-.09,;1.98,1.24,;3.52,1.24,;4.29,-.09,;5.83,-.09,;6.6,1.24,;5.83,2.57,;4.29,2.57,;8.14,1.24,;8.91,-.09,;8.91,2.57,;8.14,3.91,;-.33,-.09,;-1.1,-1.43,)| Show InChI InChI=1S/C19H23FN6O2/c1-2-16(27)26-5-3-12(4-6-26)23-15-10-22-18-17(25-15)14(9-21-18)19(28)24-13-7-11(20)8-13/h2,9-13H,1,3-8H2,(H,21,22)(H,23,25)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...				Citation and Details BindingDB Entry DOI: 10.7270/Q29026XR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316774 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(cyclopentyl...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC3CCCC3)c2n1 Show InChI InChI=1S/C21H28N6O2/c1-2-18(28)27-9-7-15(8-10-27)25-17-13-23-20-19(26-17)16(12-22-20)21(29)24-11-14-5-3-4-6-14/h2,12-15H,1,3-11H2,(H,22,23)(H,24,29)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316739 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...) Show SMILES FC1(F)CCCC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316743 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifl...) Show SMILES FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H23F3N6O2/c1-2-15(29)28-8-4-12(5-9-28)26-14-11-25-17-16(27-14)13(10-24-17)18(30)23-7-3-6-19(20,21)22/h2,10-12H,1,3-9H2,(H,23,30)(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316745 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-cyanoprop...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCC#N)c2n1 Show InChI InChI=1S/C19H23N7O2/c1-2-16(27)26-9-5-13(6-10-26)24-15-12-23-18-17(25-15)14(11-22-18)19(28)21-8-4-3-7-20/h2,11-13H,1,3-6,8-10H2,(H,21,28)(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316746 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-fluorocyc...) Show SMILES FC1CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 |(-8.91,2.66,;-7.82,1.57,;-6.28,1.57,;-6.28,.03,;-7.82,.03,;-5.19,-1.06,;-3.7,-.66,;-3.3,.83,;-2.61,-1.75,;-2.77,-3.28,;-1.37,-3.91,;-.33,-2.76,;1.21,-2.76,;1.98,-1.43,;1.21,-.09,;1.98,1.24,;3.52,1.24,;4.29,-.09,;5.83,-.09,;6.6,1.24,;5.83,2.57,;4.29,2.57,;8.14,1.24,;8.91,-.09,;8.91,2.57,;8.14,3.91,;-.33,-.09,;-1.1,-1.43,)| Show InChI InChI=1S/C19H23FN6O2/c1-2-16(27)26-5-3-12(4-6-26)23-15-10-22-18-17(25-15)14(9-21-18)19(28)24-13-7-11(20)8-13/h2,9-13H,1,3-8H2,(H,21,22)(H,23,25)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316711 (5-{2-[(1-acryloylpiperidin-4-yl)amino]-5H-pyrrolo[...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(-c3cncc(c3)C#N)c2n1 Show InChI InChI=1S/C20H19N7O/c1-2-18(28)27-5-3-15(4-6-27)25-17-12-24-20-19(26-17)16(11-23-20)14-7-13(8-21)9-22-10-14/h2,7,9-12,15H,1,3-6H2,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...				Citation and Details BindingDB Entry DOI: 10.7270/Q29026XR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316515 (US11111242, Example 3 | US9617258, Example 3) Show SMILES Clc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...				Citation and Details BindingDB Entry DOI: 10.7270/Q29026XR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316840 (US11111242, Example 343 | US9617258, Example 343) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1 Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316840 (US11111242, Example 343 | US9617258, Example 343) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1 Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...				Citation and Details BindingDB Entry DOI: 10.7270/Q29026XR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316774 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(cyclopentyl...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC3CCCC3)c2n1 Show InChI InChI=1S/C21H28N6O2/c1-2-18(28)27-9-7-15(8-10-27)25-17-13-23-20-19(26-17)16(12-22-20)21(29)24-11-14-5-3-4-6-14/h2,12-15H,1,3-11H2,(H,22,23)(H,24,29)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...				Citation and Details BindingDB Entry DOI: 10.7270/Q29026XR
					More data for this Ligand-Target Pair

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