Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 7824   

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
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM221072 (SPHINX scaffold, 2) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(o1)-c1ccncc1)C(F)(F)F Show InChI InChI=1S/C22H21F3N4O2/c1-28-10-12-29(13-11-28)18-3-2-16(22(23,24)25)14-17(18)27-21(30)20-5-4-19(31-20)15-6-8-26-9-7-15/h2-9,14H,10-13H2,1H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM221071 (SPHINX scaffold, 1) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(C)o1)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O2/c1-12-3-6-16(26-12)17(25)22-14-11-13(18(19,20)21)4-5-15(14)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM221073 (SPHINX scaffold, 3 | US9695160, SPHINX7 | US979670...) Show SMILES CN(C)CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(o1)-c1ccncc1)C(F)(F)F Show InChI InChI=1S/C25H28F3N5O2/c1-31(2)11-12-32-13-15-33(16-14-32)21-4-3-19(25(26,27)28)17-20(21)30-24(34)23-6-5-22(35-23)18-7-9-29-10-8-18/h3-10,17H,11-16H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.45	37
Exonate Ltd					Assay Description Whole cell patch clamp recordings of hERG current (IhERG) were made at 37 °C from human embryonic kidney cells (HEK 293) cells stably expressing ...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM221073 (SPHINX scaffold, 3 | US9695160, SPHINX7 | US979670...) Show SMILES CN(C)CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(o1)-c1ccncc1)C(F)(F)F Show InChI InChI=1S/C25H28F3N5O2/c1-31(2)11-12-32-13-15-33(16-14-32)21-4-3-19(25(26,27)28)17-20(21)30-24(34)23-6-5-22(35-23)18-7-9-29-10-8-18/h3-10,17H,11-16H2,1-2H3,(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.45	37
Exonate Ltd					Assay Description Whole cell patch clamp recordings of hERG current (IhERG) were made at 37 °C from human embryonic kidney cells (HEK 293) cells stably expressing ...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM221070 (SPHINX | US9695160, SPHINX | US9796707, Reference ...) Show SMILES Cc1ccc(o1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O3/c1-11-2-5-15(25-11)16(23)21-13-10-12(17(18,19)20)3-4-14(13)22-6-8-24-9-7-22/h2-5,10H,6-9H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair