Compile Data Set for Download or QSAR

Found 611 hits with Last Name = 'wallace' and Initial = 'g'   

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 JAK1 (Homo sapiens (Human))	BDBM50426739 (CHEMBL2322135) Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426734 (CHEMBL2322142) Show SMILES C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375120 (CHEMBL403040) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426732 (CHEMBL2322134) Show SMILES C1CCC(CC1)c1ncc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)14-17-9-11-8-16-13-12(18(11)14)6-7-15-13/h6-10,15H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375119 (CHEMBL401868) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50338159 (2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-...) Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O Show InChI InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 21: 1861-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.008 BindingDB Entry DOI: 10.7270/Q2BV7GXW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426739 (CHEMBL2322135) Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375116 (CHEMBL403290) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375124 (CHEMBL256457) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H26Cl2N4O2/c1-34(29(38)23-11-10-20-6-2-3-7-22(20)18-23)16-5-17-35-28-25(32)8-4-9-26(28)36(30(35)33)19-27(37)21-12-14-24(31)15-13-21/h2-4,6-15,18,33H,5,16-17,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375121 (CHEMBL257038) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375116 (CHEMBL403290) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375116 (CHEMBL403290) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28043 (7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...) Show SMILES Nc1ncc(-c2cccc(c2)-c2ccccc2)c2cc(sc12)C(O)=O Show InChI InChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426737 (CHEMBL2322137) Show SMILES C1CCC(CC1)c1noc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50338157 (2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-...) Show SMILES CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1 Show InChI InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 21: 1861-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.008 BindingDB Entry DOI: 10.7270/Q2BV7GXW
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375116 (CHEMBL403290) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375117 (CHEMBL255798) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccn1 Show InChI InChI=1S/C25H23Cl2N5O2/c1-30(24(34)20-7-2-3-13-29-20)14-5-15-31-23-19(27)6-4-8-21(23)32(25(31)28)16-22(33)17-9-11-18(26)12-10-17/h2-4,6-13,28H,5,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375119 (CHEMBL401868) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375111 (CHEMBL409499) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24Cl2N4O2/c1-30(25(34)19-7-3-2-4-8-19)15-6-16-31-24-21(28)9-5-10-22(24)32(26(31)29)17-23(33)18-11-13-20(27)14-12-18/h2-5,7-14,29H,6,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375123 (CHEMBL272558) Show SMILES COc1ccccc1C(=O)N(C)CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C27H26Cl2N4O3/c1-31(26(35)20-7-3-4-10-24(20)36-2)15-6-16-32-25-21(29)8-5-9-22(25)33(27(32)30)17-23(34)18-11-13-19(28)14-12-18/h3-5,7-14,30H,6,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426733 (CHEMBL2322143) Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375122 (CHEMBL427833) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393756 (CHEMBL2159198) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375122 (CHEMBL427833) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375121 (CHEMBL257038) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375120 (CHEMBL403040) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50371837 (CHEMBL257663) Show SMILES CCc1cccc2n(CC(=O)c3ccc(Cl)cc3)c(=N)n(C)c12 Show InChI InChI=1S/C18H18ClN3O/c1-3-12-5-4-6-15-17(12)21(2)18(20)22(15)11-16(23)13-7-9-14(19)10-8-13/h4-10,20H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375117 (CHEMBL255798) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccn1 Show InChI InChI=1S/C25H23Cl2N5O2/c1-30(24(34)20-7-2-3-13-29-20)14-5-15-31-23-19(27)6-4-8-21(23)32(25(31)28)16-22(33)17-9-11-18(26)12-10-17/h2-4,6-13,28H,5,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426731 (1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-...) Show SMILES C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)18-9-17-12-8-16-14-11(13(12)18)6-7-15-14/h6-10H,1-5H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50371837 (CHEMBL257663) Show SMILES CCc1cccc2n(CC(=O)c3ccc(Cl)cc3)c(=N)n(C)c12 Show InChI InChI=1S/C18H18ClN3O/c1-3-12-5-4-6-15-17(12)21(2)18(20)22(15)11-16(23)13-7-9-14(19)10-8-13/h4-10,20H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells				Bioorg Med Chem Lett 18: 1573-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.074 BindingDB Entry DOI: 10.7270/Q2QZ2BTF
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50426733 (CHEMBL2322143) Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426737 (CHEMBL2322137) Show SMILES C1CCC(CC1)c1noc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426735 (CHEMBL2322141) Show SMILES C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C13H15N5/c1-2-4-9(5-3-1)13-17-16-11-8-15-12-10(18(11)13)6-7-14-12/h6-9,14H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50426734 (CHEMBL2322142) Show SMILES C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375124 (CHEMBL256457) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H26Cl2N4O2/c1-34(29(38)23-11-10-20-6-2-3-7-22(20)18-23)16-5-17-35-28-25(32)8-4-9-26(28)36(30(35)33)19-27(37)21-12-14-24(31)15-13-21/h2-4,6-15,18,33H,5,16-17,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50375120 (CHEMBL403040) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50426739 (CHEMBL2322135) Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50338158 (2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...) Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 21: 1861-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.008 BindingDB Entry DOI: 10.7270/Q2BV7GXW
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375123 (CHEMBL272558) Show SMILES COc1ccccc1C(=O)N(C)CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C27H26Cl2N4O3/c1-31(26(35)20-7-3-4-10-24(20)36-2)15-6-16-32-25-21(29)8-5-9-22(25)33(27(32)30)17-23(34)18-11-13-19(28)14-12-18/h3-5,7-14,30H,6,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50375122 (CHEMBL427833) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28037 (4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES OC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426738 (CHEMBL2322136) Show SMILES Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc12 Show InChI InChI=1S/C15H18N4/c1-19-12-9-17-15-11(7-8-16-15)13(12)14(18-19)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50375121 (CHEMBL257038) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50426737 (CHEMBL2322137) Show SMILES C1CCC(CC1)c1noc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50338156 (2-(5-methyl-6-(4-(morpholinosulfonyl)benzyl)-6H-th...) Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H22N2O5S2/c1-14-18(12-19(23)24)17-6-11-28-20(17)22(14)13-15-2-4-16(5-3-15)29(25,26)21-7-9-27-10-8-21/h2-6,11H,7-10,12-13H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 21: 1861-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.008 BindingDB Entry DOI: 10.7270/Q2BV7GXW
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50371837 (CHEMBL257663) Show SMILES CCc1cccc2n(CC(=O)c3ccc(Cl)cc3)c(=N)n(C)c12 Show InChI InChI=1S/C18H18ClN3O/c1-3-12-5-4-6-15-17(12)21(2)18(20)22(15)11-16(23)13-7-9-14(19)10-8-13/h4-10,20H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells by FLIPR-based calcium mobilization assay				Bioorg Med Chem Lett 18: 1573-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.074 BindingDB Entry DOI: 10.7270/Q2QZ2BTF
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375126 (CHEMBL255583) Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)Cc1ccccc1 Show InChI InChI=1S/C27H26Cl2N4O2/c1-31(25(35)17-19-7-3-2-4-8-19)15-6-16-32-26-22(29)9-5-10-23(26)33(27(32)30)18-24(34)20-11-13-21(28)14-12-20/h2-5,7-14,30H,6,15-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50375116 (CHEMBL403290) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28039 (5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H...) Show SMILES c1c(sc2cncc(-c3cccc(c3)-c3ccccc3)c12)-c1nnn[nH]1 Show InChI InChI=1S/C20H13N5S/c1-2-5-13(6-3-1)14-7-4-8-15(9-14)17-11-21-12-19-16(17)10-18(26-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair

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