Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50027674   

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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412556 (CHEMBL481198) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412557 (CHEMBL464244) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C |r| Show InChI InChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412560 (CHEMBL464065) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@H]1O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50254678 ((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H27F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/t13-,14+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412559 (CHEMBL464083) Show SMILES C[C@H]1CN(CCN1c1ncc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C20H27F3N4O3S/c1-13-11-26(6-7-27(13)17-24-9-15(10-25-17)20(21,22)23)31(29,30)12-19-5-4-14(8-16(19)28)18(19,2)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14+,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412599 (CHEMBL459950) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(O)C2 |r,THB:28:27:5.4:1| Show InChI InChI=1S/C20H28F3N3O3S/c1-18(2)14-5-6-19(18,16(27)11-14)13-30(28,29)26-9-7-25(8-10-26)17-4-3-15(12-24-17)20(21,22)23/h3-4,12,14,16,27H,5-11,13H2,1-2H3/t14-,16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412555 (CHEMBL481197) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17?,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412564 (CHEMBL479426) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)C2 |r,THB:29:28:5.4:1| Show InChI InChI=1S/C20H25F4N3O3S/c1-18(2)13-3-4-19(18,16(28)10-13)12-31(29,30)27-7-5-26(6-8-27)17-15(21)9-14(11-25-17)20(22,23)24/h9,11,13H,3-8,10,12H2,1-2H3/t13-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412563 (CHEMBL465283) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H28F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14-,15+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50254678 ((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H27F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/t13-,14+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412597 (CHEMBL459951) Show SMILES CC1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2(C)C |r,TLB:2:1:6.5:28,THB:0:1:6.5:28| Show InChI InChI=1S/C21H30F3N3O3S/c1-18(2)15-6-7-20(18,19(3,28)12-15)14-31(29,30)27-10-8-26(9-11-27)17-5-4-16(13-25-17)21(22,23)24/h4-5,13,15,28H,6-12,14H2,1-3H3/t15-,19?,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412600 (CHEMBL468468) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C1(C2)OCCO1 |r| Show InChI InChI=1S/C22H30F3N3O4S/c1-19(2)16-5-6-20(19,21(13-16)31-11-12-32-21)15-33(29,30)28-9-7-27(8-10-28)18-4-3-17(14-26-18)22(23,24)25/h3-4,14,16H,5-13,15H2,1-2H3/t16-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412556 (CHEMBL481198) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412575 (CHEMBL481780) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(c(Cl)n1)C(F)(F)F)C(=O)C2 |r,THB:29:28:5.4:1| Show InChI InChI=1S/C20H25ClF3N3O3S/c1-18(2)13-5-6-19(18,15(28)11-13)12-31(29,30)27-9-7-26(8-10-27)16-4-3-14(17(21)25-16)20(22,23)24/h3-4,13H,5-12H2,1-2H3/t13-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412558 (CHEMBL464081) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)C2 |r,THB:28:27:5.4:1| Show InChI InChI=1S/C20H26F3N3O3S/c1-18(2)14-5-6-19(18,16(27)11-14)13-30(28,29)26-9-7-25(8-10-26)17-4-3-15(12-24-17)20(21,22)23/h3-4,12,14H,5-11,13H2,1-2H3/t14-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412562 (CHEMBL481196) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN([C@H](CO)C1)c1ncc(cc1F)C(F)(F)F)C(=O)C2 |r,THB:31:30:5.4:1| Show InChI InChI=1S/C21H27F4N3O4S/c1-19(2)13-3-4-20(19,17(30)8-13)12-33(31,32)27-5-6-28(15(10-27)11-29)18-16(22)7-14(9-26-18)21(23,24)25/h7,9,13,15,29H,3-6,8,10-12H2,1-2H3/t13-,15+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412561 (CHEMBL465918) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@H]1O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412563 (CHEMBL465283) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H28F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14-,15+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412579 (CHEMBL479828) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)C(=O)C2 |r,THB:28:27:5.4:1| Show InChI InChI=1S/C19H25F3N4O3S/c1-17(2)13-3-4-18(17,15(27)9-13)12-30(28,29)26-7-5-25(6-8-26)16-23-10-14(11-24-16)19(20,21)22/h10-11,13H,3-9,12H2,1-2H3/t13-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412576 (CHEMBL480996) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1nc(Cl)c(cc1Cl)C(F)(F)F)C(=O)C2 |r,THB:30:29:5.4:1| Show InChI InChI=1S/C20H24Cl2F3N3O3S/c1-18(2)12-3-4-19(18,15(29)9-12)11-32(30,31)28-7-5-27(6-8-28)17-14(21)10-13(16(22)26-17)20(23,24)25/h10,12H,3-9,11H2,1-2H3/t12-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50254678 ((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H27F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/t13-,14+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 red (unknown origin)				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412574 (CHEMBL481779) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)C(=O)C2 |r,THB:29:28:5.4:1| Show InChI InChI=1S/C20H25ClF3N3O3S/c1-18(2)13-3-4-19(18,16(28)10-13)12-31(29,30)27-7-5-26(6-8-27)17-15(21)9-14(11-25-17)20(22,23)24/h9,11,13H,3-8,10,12H2,1-2H3/t13-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412589 (CHEMBL465637) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(C(CO)C1)c1ccc(cn1)C(F)(F)F)C(=O)C2 |r,THB:30:29:5.4:1| Show InChI InChI=1S/C21H28F3N3O4S/c1-19(2)14-5-6-20(19,17(29)9-14)13-32(30,31)26-7-8-27(16(11-26)12-28)18-4-3-15(10-25-18)21(22,23)24/h3-4,10,14,16,28H,5-9,11-13H2,1-2H3/t14-,16?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412587 (CHEMBL517623) Show SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H28F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14-,15-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50254678 ((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H27F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/t13-,14+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412554 (CHEMBL479430) Show SMILES C[C@@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H27F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/t13-,14-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412588 (CHEMBL518459) Show SMILES CCC1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C22H30F3N3O3S/c1-4-17-13-27(9-10-28(17)19-6-5-16(12-26-19)22(23,24)25)32(30,31)14-21-8-7-15(11-18(21)29)20(21,2)3/h5-6,12,15,17H,4,7-11,13-14H2,1-3H3/t15-,17?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412555 (CHEMBL481197) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17?,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412552 (CHEMBL481776) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C2)NS(C)(=O)=O |r,THB:29:27:5.4:1| Show InChI InChI=1S/C21H31F3N4O4S2/c1-19(2)15-6-7-20(19,17(12-15)26-33(3,29)30)14-34(31,32)28-10-8-27(9-11-28)18-5-4-16(13-25-18)21(22,23)24/h4-5,13,15,17,26H,6-12,14H2,1-3H3/t15-,17?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412584 (CHEMBL464923) Show SMILES CC1CN(CCN1S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(cn1)C(F)(F)F |r,TLB:17:16:12.13:18| Show InChI InChI=1S/C21H28F3N3O3S/c1-14-12-26(18-5-4-16(11-25-18)21(22,23)24)8-9-27(14)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14?,15-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412580 (CHEMBL479829) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ncc(Br)cn1)C(=O)C2 |r,THB:25:24:5.4:1| Show InChI InChI=1S/C18H25BrN4O3S/c1-17(2)13-3-4-18(17,15(24)9-13)12-27(25,26)23-7-5-22(6-8-23)16-20-10-14(19)11-21-16/h10-11,13H,3-9,12H2,1-2H3/t13-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412561 (CHEMBL465918) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@H]1O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412596 (CHEMBL517402) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(F)C2 |r,THB:28:27:5.4:1| Show InChI InChI=1S/C20H27F4N3O2S/c1-18(2)14-5-6-19(18,16(21)11-14)13-30(28,29)27-9-7-26(8-10-27)17-4-3-15(12-25-17)20(22,23)24/h3-4,12,14,16H,5-11,13H2,1-2H3/t14-,16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412551 (CHEMBL482369) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(N)C2 |r,THB:28:27:5.4:1| Show InChI InChI=1S/C20H29F3N4O2S/c1-18(2)14-5-6-19(18,16(24)11-14)13-30(28,29)27-9-7-26(8-10-27)17-4-3-15(12-25-17)20(21,22)23/h3-4,12,14,16H,5-11,13,24H2,1-2H3/t14-,16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412564 (CHEMBL479426) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)C2 |r,THB:29:28:5.4:1| Show InChI InChI=1S/C20H25F4N3O3S/c1-18(2)13-3-4-19(18,16(28)10-13)12-31(29,30)27-7-5-26(6-8-27)17-15(21)9-14(11-25-17)20(22,23)24/h9,11,13H,3-8,10,12H2,1-2H3/t13-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412598 (CHEMBL482174) Show SMILES CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)CC2 |r| Show InChI InChI=1S/C20H28F3N3O2S/c1-18(2)15-5-7-19(18,8-6-15)14-29(27,28)26-11-9-25(10-12-26)17-4-3-16(13-24-17)20(21,22)23/h3-4,13,15H,5-12,14H2,1-2H3/t15-,19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412553 (CHEMBL479824) Show SMILES CCNC(=O)NC1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2(C)C |r,TLB:5:6:10.9:32| Show InChI InChI=1S/C23H34F3N5O3S/c1-4-27-20(32)29-18-13-16-7-8-22(18,21(16,2)3)15-35(33,34)31-11-9-30(10-12-31)19-6-5-17(14-28-19)23(24,25)26/h5-6,14,16,18H,4,7-13,15H2,1-3H3,(H2,27,29,32)/t16-,18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412559 (CHEMBL464083) Show SMILES C[C@H]1CN(CCN1c1ncc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C20H27F3N4O3S/c1-13-11-26(6-7-27(13)17-24-9-15(10-25-17)20(21,22)23)31(29,30)12-19-5-4-14(8-16(19)28)18(19,2)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412558 (CHEMBL464081) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)C2 |r,THB:28:27:5.4:1| Show InChI InChI=1S/C20H26F3N3O3S/c1-18(2)14-5-6-19(18,16(27)11-14)13-30(28,29)26-9-7-25(8-10-26)17-4-3-15(12-24-17)20(21,22)23/h3-4,12,14H,5-11,13H2,1-2H3/t14-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412560 (CHEMBL464065) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@H]1O)C2(C)C |r,TLB:28:27:23.24:29| Show InChI InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412557 (CHEMBL464244) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C |r| Show InChI InChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412603 (CHEMBL516872) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(Br)cn1)C(=O)C2 |r,THB:25:24:5.4:1| Show InChI InChI=1S/C19H26BrN3O3S/c1-18(2)14-5-6-19(18,16(24)11-14)13-27(25,26)23-9-7-22(8-10-23)17-4-3-15(20)12-21-17/h3-4,12,14H,5-11,13H2,1-2H3/t14-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412595 (CHEMBL459742) Show SMILES CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)C2 |r,THB:28:27:1:4.5| Show InChI InChI=1S/C20H26F3N3O3S/c1-18(2)14-5-6-19(18,16(27)11-14)13-30(28,29)26-9-7-25(8-10-26)17-4-3-15(12-24-17)20(21,22)23/h3-4,12,14H,5-11,13H2,1-2H3/t14-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412601 (CHEMBL482370) Show SMILES CC(=O)NC1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2(C)C |r,TLB:3:4:8.7:30| Show InChI InChI=1S/C22H31F3N4O3S/c1-15(30)27-18-12-16-6-7-21(18,20(16,2)3)14-33(31,32)29-10-8-28(9-11-29)19-5-4-17(13-26-19)22(23,24)25/h4-5,13,16,18H,6-12,14H2,1-3H3,(H,27,30)/t16-,18?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50412578 (CHEMBL480608) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F)C(=O)C2 |r,THB:29:28:5.4:1| Show InChI InChI=1S/C21H26F4N2O3S/c1-19(2)14-5-6-20(19,18(28)12-14)13-31(29,30)27-9-7-26(8-10-27)17-4-3-15(11-16(17)22)21(23,24)25/h3-4,11,14H,5-10,12-13H2,1-2H3/t14-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412563 (CHEMBL465283) Show SMILES C[C@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28| Show InChI InChI=1S/C21H28F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14-,15+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 80 total )  |  Next  |  Last  >>

Jump to: