Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50032073   

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 14 (Homo sapiens (Human))	BDBM50323919 (4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323917 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)ccc1Cl Show InChI InChI=1S/C24H23ClF3N3O3/c25-20-6-5-16(15-19(20)24(26,27)28)29-23(32)30-21-7-8-22(18-4-2-1-3-17(18)21)34-14-11-31-9-12-33-13-10-31/h1-8,15H,9-14H2,(H2,29,30,32)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323918 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323922 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl...) Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C24H18ClF3N6O/c1-14-4-5-17(32-23(35)31-16-6-7-19(25)18(11-16)24(26,27)28)12-21(14)34-22-30-10-8-20(33-22)15-3-2-9-29-13-15/h2-13H,1H3,(H,30,33,34)(H2,31,32,35)	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	18.4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323919 (4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62.6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	76.2	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	83.4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	84.8	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50323921 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)	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	92.3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323921 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)	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	106	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50323922 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl...) Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C24H18ClF3N6O/c1-14-4-5-17(32-23(35)31-16-6-7-19(25)18(11-16)24(26,27)28)12-21(14)34-22-30-10-8-20(33-22)15-3-2-9-29-13-15/h2-13H,1H3,(H,30,33,34)(H2,31,32,35)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323918 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50323919 (4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323921 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50323918 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	414	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323920 (CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	572	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323917 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)ccc1Cl Show InChI InChI=1S/C24H23ClF3N3O3/c25-20-6-5-16(15-19(20)24(26,27)28)29-23(32)30-21-7-8-22(18-4-2-1-3-17(18)21)34-14-11-31-9-12-33-13-10-31/h1-8,15H,9-14H2,(H2,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323916 (4-((4-methylpiperazin-1-yl)methyl)-N-(4-(2-morphol...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)CC1 Show InChI InChI=1S/C29H36N4O3/c1-31-12-14-33(15-13-31)22-23-6-8-24(9-7-23)29(34)30-27-10-11-28(26-5-3-2-4-25(26)27)36-21-18-32-16-19-35-20-17-32/h2-11H,12-22H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323915 (CHEMBL1213922 | N-methyl-4-(4-(4-((4-methylpiperaz...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H29N5O3/c1-27-26(33)24-17-23(11-12-28-24)34-22-9-7-21(8-10-22)29-25(32)20-5-3-19(4-6-20)18-31-15-13-30(2)14-16-31/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323920 (CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34)	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323916 (4-((4-methylpiperazin-1-yl)methyl)-N-(4-(2-morphol...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)CC1 Show InChI InChI=1S/C29H36N4O3/c1-31-12-14-33(15-13-31)22-23-6-8-24(9-7-23)29(34)30-27-10-11-28(26-5-3-2-4-25(26)27)36-21-18-32-16-19-35-20-17-32/h2-11H,12-22H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323915 (CHEMBL1213922 | N-methyl-4-(4-(4-((4-methylpiperaz...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H29N5O3/c1-27-26(33)24-17-23(11-12-28-24)34-22-9-7-21(8-10-22)29-25(32)20-5-3-19(4-6-20)18-31-15-13-30(2)14-16-31/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H,29,32)	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50323920 (CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50323915 (CHEMBL1213922 | N-methyl-4-(4-(4-((4-methylpiperaz...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H29N5O3/c1-27-26(33)24-17-23(11-12-28-24)34-22-9-7-21(8-10-22)29-25(32)20-5-3-19(4-6-20)18-31-15-13-30(2)14-16-31/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H,29,32)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50323916 (4-((4-methylpiperazin-1-yl)methyl)-N-(4-(2-morphol...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)CC1 Show InChI InChI=1S/C29H36N4O3/c1-31-12-14-33(15-13-31)22-23-6-8-24(9-7-23)29(34)30-27-10-11-28(26-5-3-2-4-25(26)27)36-21-18-32-16-19-35-20-17-32/h2-11H,12-22H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair