Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'khiari' and Initial = 'j'   

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
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50148458 (CHEMBL4778413) Show SMILES CNc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1 Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50249773 (CHEMBL4763099) Show SMILES CN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1 Show InChI InChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50249769 (CHEMBL4748345) Show SMILES Nc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12 Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-14(11-12(15)7-10-16(18)19)22(20,21)17-13-5-3-2-4-6-13/h2-11,17H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50148388 (CHEMBL4784564) Show SMILES CN(C)CCNc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1 Show InChI InChI=1S/C18H19N3O3S/c1-20-17(19)15-8-11-16(25-15)12(9-21(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50249763 (CHEMBL4794934) Show SMILES CCN(CC)CCCNc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)24(22,23)19-14-5-2-12(11-18)3-6-14/h2-10,19H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to partial length human BRD9 by BROMOscan assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50249774 (CHEMBL4776402) Show SMILES Nc1c2ccncc2cc2cnc(NCCCN3CCCC3)nc12 Show InChI InChI=1S/C12H14N2O3S/c1-3-18(16,17)13-10-5-6-11-9(8-10)4-7-12(15)14(11)2/h4-8,13H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50249773 (CHEMBL4763099) Show SMILES CN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1 Show InChI InChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50249762 (CHEMBL4759771) Show SMILES CN(C)CCCNc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C13H14N2O3S/c1-15-12-6-3-10(8-9(12)2-7-13(15)16)14-19(17,18)11-4-5-11/h2-3,6-8,11,14H,4-5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 in human HUT78 cells incubated for 45 mins by chemoproteomic competition binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50148455 (CHEMBL4791275) Show SMILES [O-][N+](=O)c1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12 Show InChI InChI=1S/C23H24F3N3O3S2/c1-13(2)29-12-18(14-4-3-5-15(10-14)23(24,25)26)20-17(22(29)30)11-19(33-20)21(27)28-16-6-8-34(31,32)9-7-16/h3-5,10-13,16H,6-9H2,1-2H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50249762 (CHEMBL4759771) Show SMILES CN(C)CCCNc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C13H14N2O3S/c1-15-12-6-3-10(8-9(12)2-7-13(15)16)14-19(17,18)11-4-5-11/h2-3,6-8,11,14H,4-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50148459 (CHEMBL4755373) Show SMILES CN1CCN(CCNc2ncc3cc4cnccc4c(N)c3n2)CC1 Show InChI InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50148457 (CHEMBL4780720) Show SMILES [O-][N+](=O)c1c2ccncc2cc2cnc(NCCCN3CCCCC3)nc12 Show InChI InChI=1S/C20H21N3O3S2/c1-23-12-16(13-5-3-2-4-6-13)18-15(20(23)24)11-17(27-18)19(21)22-14-7-9-28(25,26)10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50148456 (CHEMBL4785650) Show SMILES CN1CCN(CCCNc2ncc3cc4cnccc4c([N+]([O-])=O)c3n2)CC1 Show InChI InChI=1S/C22H25N3O5S2/c1-25-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(25)26)11-19(31-20)21(23)24-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50249763 (CHEMBL4794934) Show SMILES CCN(CC)CCCNc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)24(22,23)19-14-5-2-12(11-18)3-6-14/h2-10,19H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50249786 (CHEMBL4740659) Show SMILES Nc1c2ccncc2cc2cnc(NCCN3CCOCC3)nc12 Show InChI InChI=1S/C18H15N3O4S/c1-21-16-10-17(25-2)15(9-13(16)5-8-18(21)22)20-26(23,24)14-6-3-12(11-19)4-7-14/h3-10,20H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50148459 (CHEMBL4755373) Show SMILES CN1CCN(CCNc2ncc3cc4cnccc4c(N)c3n2)CC1 Show InChI InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50249784 (CHEMBL4760494) Show SMILES CNc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C11H12N2O3S/c1-13-10-5-4-9(12-17(2,15)16)7-8(10)3-6-11(13)14/h3-7,12H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50249769 (CHEMBL4748345) Show SMILES Nc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12 Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-14(11-12(15)7-10-16(18)19)22(20,21)17-13-5-3-2-4-6-13/h2-11,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair				3D Structure (crystal)