Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50001031   

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
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268018 (CHEMBL4096439) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268016 (CHEMBL4080860) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Br)c2)c1F Show InChI InChI=1S/C21H13BrF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268037 (CHEMBL4091071) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]ncc2c1 Show InChI InChI=1S/C20H11ClF2N4O2S/c21-14-2-1-3-15(9-14)30(28,29)27-18-7-6-17(22)16(19(18)23)5-4-12-8-13-11-25-26-20(13)24-10-12/h1-3,6-11,27H,(H,24,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268020 (CHEMBL4104859) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2Cl)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-14-10-12(11-25-20(14)26-27-21)6-7-13-16(23)8-9-17(19(13)24)28-32(29,30)18-5-3-2-4-15(18)22/h2-5,8-11,28H,1H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268015 (CHEMBL4079935) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(OC)c2)c1F Show InChI InChI=1S/C22H16F2N4O4S/c1-31-14-4-3-5-15(11-14)33(29,30)28-19-9-8-18(23)16(20(19)24)7-6-13-10-17-21(25-12-13)26-27-22(17)32-2/h3-5,8-12,28H,1-2H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268017 (CHEMBL4088739) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F Show InChI InChI=1S/C21H12Cl2F2N4O3S/c1-32-21-13-9-11(10-26-20(13)27-28-21)5-6-12-15(24)7-8-16(19(12)25)29-33(30,31)17-4-2-3-14(22)18(17)23/h2-4,7-10,29H,1H3,(H,26,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268014 (CHEMBL4104171) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(C)c2)c1F Show InChI InChI=1S/C22H16F2N4O3S/c1-13-4-3-5-15(10-13)32(29,30)28-19-9-8-18(23)16(20(19)24)7-6-14-11-17-21(25-12-14)26-27-22(17)31-2/h3-5,8-12,28H,1-2H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268011 (CHEMBL4069195) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-10-12(11-25-20(16)26-27-21)2-7-15-17(23)8-9-18(19(15)24)28-32(29,30)14-5-3-13(22)4-6-14/h3-6,8-11,28H,1H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268019 (CHEMBL4080626) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F Show InChI InChI=1S/C21H14F2N4O3S/c1-30-21-16-11-13(12-24-20(16)25-26-21)7-8-15-17(22)9-10-18(19(15)23)27-31(28,29)14-5-3-2-4-6-14/h2-6,9-12,27H,1H3,(H,24,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268038 (CHEMBL4060505) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C21H12ClF2N3O2S/c22-15-2-1-3-16(11-15)30(28,29)27-19-7-6-18(23)17(20(19)24)5-4-13-10-14-8-9-25-21(14)26-12-13/h1-3,6-12,27H,(H,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of human ZAK (5 to 309 residues) expressed in baculovirus infected Sf9 insect cells using ZAKtide as substrate after 1 hr by mass spectrom...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268022 (CHEMBL4087178) Show SMILES CC(C)Oc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C23H17ClF2N4O3S/c1-13(2)33-23-18-10-14(12-27-22(18)28-29-23)6-7-17-19(25)8-9-20(21(17)26)30-34(31,32)16-5-3-4-15(24)11-16/h3-5,8-13,30H,1-2H3,(H,27,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268023 (CHEMBL4078038) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]nc(OC3CCCC3)c2c1 Show InChI InChI=1S/C25H19ClF2N4O3S/c26-16-4-3-7-18(13-16)36(33,34)32-22-11-10-21(27)19(23(22)28)9-8-15-12-20-24(29-14-15)30-31-25(20)35-17-5-1-2-6-17/h3-4,7,10-14,17,32H,1-2,5-6H2,(H,29,30,31)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268024 (CHEMBL4085336) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H12ClF2N3O2S/c22-15-2-1-3-16(11-15)30(28,29)27-20-9-7-18(23)17(21(20)24)6-4-13-5-8-19-14(10-13)12-25-26-19/h1-3,5,7-12,27H,(H,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	994	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268020 (CHEMBL4104859) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2Cl)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-14-10-12(11-25-20(14)26-27-21)6-7-13-16(23)8-9-17(19(13)24)28-32(29,30)18-5-3-2-4-15(18)22/h2-5,8-11,28H,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268015 (CHEMBL4079935) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(OC)c2)c1F Show InChI InChI=1S/C22H16F2N4O4S/c1-31-14-4-3-5-15(11-14)33(29,30)28-19-9-8-18(23)16(20(19)24)7-6-13-10-17-21(25-12-13)26-27-22(17)32-2/h3-5,8-12,28H,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268011 (CHEMBL4069195) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-10-12(11-25-20(16)26-27-21)2-7-15-17(23)8-9-18(19(15)24)28-32(29,30)14-5-3-13(22)4-6-14/h3-6,8-11,28H,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268016 (CHEMBL4080860) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Br)c2)c1F Show InChI InChI=1S/C21H13BrF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268017 (CHEMBL4088739) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F Show InChI InChI=1S/C21H12Cl2F2N4O3S/c1-32-21-13-9-11(10-26-20(13)27-28-21)5-6-12-15(24)7-8-16(19(12)25)29-33(30,31)17-4-2-3-14(22)18(17)23/h2-4,7-10,29H,1H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268037 (CHEMBL4091071) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]ncc2c1 Show InChI InChI=1S/C20H11ClF2N4O2S/c21-14-2-1-3-15(9-14)30(28,29)27-18-7-6-17(22)16(19(18)23)5-4-12-8-13-11-25-26-20(13)24-10-12/h1-3,6-11,27H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268018 (CHEMBL4096439) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268021 (CHEMBL4067092) Show SMILES Cn1ncc2cc(cnc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N4O2S/c1-28-21-14(12-26-28)9-13(11-25-21)5-6-17-18(23)7-8-19(20(17)24)27-31(29,30)16-4-2-3-15(22)10-16/h2-4,7-12,27H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268023 (CHEMBL4078038) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]nc(OC3CCCC3)c2c1 Show InChI InChI=1S/C25H19ClF2N4O3S/c26-16-4-3-7-18(13-16)36(33,34)32-22-11-10-21(27)19(23(22)28)9-8-15-12-20-24(29-14-15)30-31-25(20)35-17-5-1-2-6-17/h3-4,7,10-14,17,32H,1-2,5-6H2,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268022 (CHEMBL4087178) Show SMILES CC(C)Oc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C23H17ClF2N4O3S/c1-13(2)33-23-18-10-14(12-27-22(18)28-29-23)6-7-17-19(25)8-9-20(21(17)26)30-34(31,32)16-5-3-4-15(24)11-16/h3-5,8-13,30H,1-2H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268019 (CHEMBL4080626) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F Show InChI InChI=1S/C21H14F2N4O3S/c1-30-21-16-11-13(12-24-20(16)25-26-21)7-8-15-17(22)9-10-18(19(15)23)27-31(28,29)14-5-3-2-4-6-14/h2-6,9-12,27H,1H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268024 (CHEMBL4085336) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H12ClF2N3O2S/c22-15-2-1-3-16(11-15)30(28,29)27-20-9-7-18(23)17(21(20)24)6-4-13-5-8-19-14(10-13)12-25-26-19/h1-3,5,7-12,27H,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268038 (CHEMBL4060505) Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C21H12ClF2N3O2S/c22-15-2-1-3-16(11-15)30(28,29)27-19-7-6-18(23)17(20(19)24)5-4-13-10-14-8-9-25-21(14)26-12-13/h1-3,6-12,27H,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268014 (CHEMBL4104171) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(C)c2)c1F Show InChI InChI=1S/C22H16F2N4O3S/c1-13-4-3-5-15(10-13)32(29,30)28-19-9-8-18(23)16(20(19)24)7-6-14-11-17-21(25-12-14)26-27-22(17)31-2/h3-5,8-12,28H,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268021 (CHEMBL4067092) Show SMILES Cn1ncc2cc(cnc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N4O2S/c1-28-21-14(12-26-28)9-13(11-25-21)5-6-17-18(23)7-8-19(20(17)24)27-31(29,30)16-4-2-3-15(22)10-16/h2-4,7-12,27H,1H3	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Binding affinity to partial length human ZAK expressed in Escherichia coli BL21 by active-site-dependent competition assay				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Binding affinity to partial length human AURKB expressed in HEK293 cells by active-site-dependent competition assay				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Binding affinity to partial length human KIT expressed in Escherichia coli BL21 by active-site-dependent competition assay				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Binding affinity to partial length human MEK5 expressed in HEK293 cells by active-site-dependent competition assay				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase FRK (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Binding affinity to partial length human FRK expressed in Escherichia coli BL21 by active-site-dependent competition assay				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase SIK1 (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Binding affinity to partial length human SIK expressed in Escherichia coli BL21 by active-site-dependent competition assay				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Srms (Homo sapiens (Human))	BDBM50268010 (CHEMBL4098896) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Binding affinity to partial length human SRMS expressed in HEK293 cells by active-site-dependent competition assay				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair