Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50254758'   

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))	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 (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 (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