Compile Data Set for Download or QSAR

Found 566 hits with Last Name = 'ferenczy' 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
Prolyl endopeptidase (Rattus norvegicus)	BDBM50274983 (2-{3-[(2S)-4,4-Difluoro-2-(pyrrolidinocarbonyl)pyr...) Show SMILES FC1(F)C[C@H](N(C1)C(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
CHINOIN, Ltd Curated by ChEMBL					Assay Description Inhibition of POP in Sprague-Dawley rat brain homogenates				J Med Chem 51: 7514-22 (2009) Article DOI: 10.1021/jm800944x BindingDB Entry DOI: 10.7270/Q2NG4QFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Rattus norvegicus)	BDBM50274985 (1-{3-Oxo-3-[(2S)-2-(pyrrolidinocarbonyl)pyrrolidin...) Show SMILES O=C(CCn1c2ccccc2nc(-c2ccccc2)c1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
CHINOIN, Ltd Curated by ChEMBL					Assay Description Inhibition of POP in Sprague-Dawley rat brain homogenates				J Med Chem 51: 7514-22 (2009) Article DOI: 10.1021/jm800944x BindingDB Entry DOI: 10.7270/Q2NG4QFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Rattus norvegicus)	BDBM50274959 ((S)-2-(3-oxo-3-(2-(pyrrolidine-1-carbonyl)pyrrolid...) Show SMILES O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H23N3O4/c24-17(22-12-5-8-16(22)20(27)21-10-3-4-11-21)9-13-23-18(25)14-6-1-2-7-15(14)19(23)26/h1-2,6-7,16H,3-5,8-13H2/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CHINOIN, Ltd Curated by ChEMBL					Assay Description Inhibition of POP in Sprague-Dawley rat brain homogenates				J Med Chem 51: 7514-22 (2009) Article DOI: 10.1021/jm800944x BindingDB Entry DOI: 10.7270/Q2NG4QFC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM249581 (US9447038, 9) Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31ClN2O5/c1-3-12-28(22(16-26(32)33)20-5-7-21(27)8-6-20)17-19-4-9-23(18(2)15-19)34-14-13-29-24(30)10-11-25(29)31/h4-9,15,22H,3,10-14,16-17H2,1-2H3,(H,32,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Rattus norvegicus)	BDBM50240495 ((R)-1-(4-(pyrrolidine-1-carbonyl)thiazolidin-3-yl)...) Show SMILES CCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C16H28N2O2S/c1-2-3-4-5-6-9-15(19)18-13-21-12-14(18)16(20)17-10-7-8-11-17/h14H,2-13H2,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CHINOIN, Ltd Curated by ChEMBL					Assay Description Inhibition of POP in Sprague-Dawley rat brain homogenates				J Med Chem 51: 7514-22 (2009) Article DOI: 10.1021/jm800944x BindingDB Entry DOI: 10.7270/Q2NG4QFC
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249581 (US9447038, 9) Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31ClN2O5/c1-3-12-28(22(16-26(32)33)20-5-7-21(27)8-6-20)17-19-4-9-23(18(2)15-19)34-14-13-29-24(30)10-11-25(29)31/h4-9,15,22H,3,10-14,16-17H2,1-2H3,(H,32,33)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249658 (US9447038, 86) Show SMILES CCc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C28H35ClN2O5/c1-4-21-15-20(5-10-25(21)36-14-13-31-26(32)11-12-27(31)33)18-30(17-19(2)3)24(16-28(34)35)22-6-8-23(29)9-7-22/h5-10,15,19,24H,4,11-14,16-18H2,1-3H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166453 (US9073853, 12) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;3,3.2,;1.11,5.08,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)| Show InChI InChI=1S/C31H37ClN2O6/c1-39-28-16-21(4-11-27(28)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166453 (US9073853, 12) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;3,3.2,;1.11,5.08,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)| Show InChI InChI=1S/C31H37ClN2O6/c1-39-28-16-21(4-11-27(28)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166545 (US9073853, 104) Show SMILES COc1cc(CN(C[C@@H]2CC[C@H](C2)C(O)=O)[C@H](C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r| Show InChI InChI=1S/C31H38N2O7/c1-20(23-6-8-26-24(17-23)11-13-39-26)32(18-21-3-5-25(15-21)31(36)37)19-22-4-7-27(28(16-22)38-2)40-14-12-33-29(34)9-10-30(33)35/h4,6-8,16-17,20-21,25H,3,5,9-15,18-19H2,1-2H3,(H,36,37)/t20-,21-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM249583 (US9447038, 11) Show SMILES COc1cc(CN(CC2CC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O |r| Show InChI InChI=1S/C27H30ClFN2O6/c1-36-24-12-18(4-7-23(24)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166446 (US9073853, 5) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r,wU:17.18,8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.5,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;8.95,-.52,;9.72,.81,;9.85,-1.77,;8.95,-3.01,;7.48,-2.54,;6.15,-3.31,)| Show InChI InChI=1S/C30H37ClN2O6/c1-20(23-8-10-25(31)11-9-23)32(18-21-3-6-24(7-4-21)30(36)37)19-22-5-12-26(27(17-22)38-2)39-16-15-33-28(34)13-14-29(33)35/h5,8-12,17,20-21,24H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t20-,21-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166528 (US9073853, 87) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1SCCN1C(=O)CCC1=O |r,wU:17.18,8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.49,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;7.48,-2.54,;6.15,-3.31,;8.95,-3.01,;9.85,-1.77,;8.95,-.52,;9.35,.97,)| Show InChI InChI=1S/C30H37ClN2O5S/c1-20(23-8-10-25(31)11-9-23)32(18-21-3-6-24(7-4-21)30(36)37)19-22-5-12-27(26(17-22)38-2)39-16-15-33-28(34)13-14-29(33)35/h5,8-12,17,20-21,24H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t20-,21-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166446 (US9073853, 5) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r,wU:17.18,8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.5,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;8.95,-.52,;9.72,.81,;9.85,-1.77,;8.95,-3.01,;7.48,-2.54,;6.15,-3.31,)| Show InChI InChI=1S/C30H37ClN2O6/c1-20(23-8-10-25(31)11-9-23)32(18-21-3-6-24(7-4-21)30(36)37)19-22-5-12-26(27(17-22)38-2)39-16-15-33-28(34)13-14-29(33)35/h5,8-12,17,20-21,24H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t20-,21-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249583 (US9447038, 11) Show SMILES COc1cc(CN(CC2CC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O |r| Show InChI InChI=1S/C27H30ClFN2O6/c1-36-24-12-18(4-7-23(24)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249763 (US9447038, 191) Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1SCCN1C(=O)CCC1=O Show InChI InChI=1S/C27H30Cl2N2O5S/c1-36-23-12-18(4-7-24(23)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249608 (US9447038, 36) Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C27H31ClN2O6/c1-35-24-14-19(4-9-23(24)36-13-12-30-25(31)10-11-26(30)32)17-29(16-18-2-3-18)22(15-27(33)34)20-5-7-21(28)8-6-20/h4-9,14,18,22H,2-3,10-13,15-17H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166447 (US9073853, 6) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:17.18,11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.5,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;8.95,-.52,;9.72,.81,;9.85,-1.77,;8.95,-3.01,;7.48,-2.54,;6.15,-3.31,)| Show InChI InChI=1S/C30H37ClN2O6/c1-20(23-8-10-25(31)11-9-23)32(18-21-3-6-24(7-4-21)30(36)37)19-22-5-12-26(27(17-22)38-2)39-16-15-33-28(34)13-14-29(33)35/h5,8-12,17,20-21,24H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t20-,21-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249609 (US9447038, 37 | US9447038, 38) Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H31ClN2O6/c1-3-12-28(21(16-26(32)33)19-5-7-20(27)8-6-19)17-18-4-9-22(23(15-18)34-2)35-14-13-29-24(30)10-11-25(29)31/h4-9,15,21H,3,10-14,16-17H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50200716 (CHEMBL3916386) Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H31ClN2O5/c1-3-12-28(22(16-26(32)33)20-5-7-21(27)8-6-20)17-19-4-9-23(18(2)15-19)34-14-13-29-24(30)10-11-25(29)31/h4-9,15,22H,3,10-14,16-17H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166475 (US9073853, 34) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CSC1=O |r,wU:17.18,8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.49,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;7.48,-2.54,;6.15,-3.31,;8.95,-3.01,;9.85,-1.77,;8.95,-.52,;9.35,.97,)| Show InChI InChI=1S/C29H35ClN2O6S/c1-19(22-8-10-24(30)11-9-22)31(16-20-3-6-23(7-4-20)28(34)35)17-21-5-12-25(26(15-21)37-2)38-14-13-32-27(33)18-39-29(32)36/h5,8-12,15,19-20,23H,3-4,6-7,13-14,16-18H2,1-2H3,(H,34,35)/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166529 (US9073853, 88) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1SCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.49,-3.07,;9.29,-2.77,;10.19,-1.53,;9.29,-.28,;9.69,1.2,)| Show InChI InChI=1S/C31H37ClN2O5S/c1-39-27-16-21(4-11-28(27)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM249577 (US9447038, 5) Show SMILES COc1cc(CN(CC(C)C)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O |r| Show InChI InChI=1S/C28H34ClN3O6/c1-19(2)17-31(23(16-27(34)35)21-6-8-22(29)9-7-21)18-20-5-10-24(25(15-20)37-4)38-14-13-32-26(33)11-12-30(3)28(32)36/h5-12,15,19,23H,13-14,16-18H2,1-4H3,(H,34,35)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249615 (US9447038, 43) Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C27H32ClFN2O6/c1-3-4-11-30(22(16-27(34)35)19-6-7-20(28)21(29)15-19)17-18-5-8-23(24(14-18)36-2)37-13-12-31-25(32)9-10-26(31)33/h5-8,14-15,22H,3-4,9-13,16-17H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249577 (US9447038, 5) Show SMILES COc1cc(CN(CC(C)C)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O |r| Show InChI InChI=1S/C28H34ClN3O6/c1-19(2)17-31(23(16-27(34)35)21-6-8-22(29)9-7-21)18-20-5-10-24(25(15-20)37-4)38-14-13-32-26(33)11-12-30(3)28(32)36/h5-12,15,19,23H,13-14,16-18H2,1-4H3,(H,34,35)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166529 (US9073853, 88) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1SCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.49,-3.07,;9.29,-2.77,;10.19,-1.53,;9.29,-.28,;9.69,1.2,)| Show InChI InChI=1S/C31H37ClN2O5S/c1-39-27-16-21(4-11-28(27)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166451 (US9073853, 10) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;3,3.2,;1.11,5.08,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)| Show InChI InChI=1S/C31H37ClN2O6/c1-39-28-16-21(4-11-27(28)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249647 (US9447038, 75) Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C26H30ClFN2O5/c1-3-10-29(22(15-26(33)34)19-5-6-20(27)21(28)14-19)16-18-4-7-23(17(2)13-18)35-12-11-30-24(31)8-9-25(30)32/h4-7,13-14,22H,3,8-12,15-16H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166466 (US9073853, 25) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc(Cl)c(C)c2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.49,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-9.85,-3.31,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;7.48,-2.54,;6.15,-3.31,;8.95,-3.01,;9.85,-1.77,;8.95,-.52,;9.35,.97,)| Show InChI InChI=1S/C31H39ClN2O6/c1-20-16-25(9-10-26(20)32)21(2)33(18-22-4-7-24(8-5-22)31(37)38)19-23-6-11-27(28(17-23)39-3)40-15-14-34-29(35)12-13-30(34)36/h6,9-11,16-17,21-22,24H,4-5,7-8,12-15,18-19H2,1-3H3,(H,37,38)/t21?,22-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166455 (US9073853, 14) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-5.64,-2.59,;-6.27,-1.19,;-7.8,-1.02,;-8.71,-2.27,;-10.19,-1.87,;-8.08,-3.68,;-9.11,-4.71,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)| Show InChI InChI=1S/C31H36Cl2N2O6/c1-40-27-16-20(4-11-26(27)41-15-14-35-28(36)12-13-29(35)37)18-34(17-19-2-5-21(6-3-19)31(38)39)25-10-8-23-22(25)7-9-24(32)30(23)33/h4,7,9,11,16,19,21,25H,2-3,5-6,8,10,12-15,17-18H2,1H3,(H,38,39)/t19-,21-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166455 (US9073853, 14) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-5.64,-2.59,;-6.27,-1.19,;-7.8,-1.02,;-8.71,-2.27,;-10.19,-1.87,;-8.08,-3.68,;-9.11,-4.71,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)| Show InChI InChI=1S/C31H36Cl2N2O6/c1-40-27-16-20(4-11-26(27)41-15-14-35-28(36)12-13-29(35)37)18-34(17-19-2-5-21(6-3-19)31(38)39)25-10-8-23-22(25)7-9-24(32)30(23)33/h4,7,9,11,16,19,21,25H,2-3,5-6,8,10,12-15,17-18H2,1H3,(H,38,39)/t19-,21-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166589 (US9073853, 148) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.15,-2.3,;3.82,-3.07,;2.49,-2.3,;1.15,-3.07,;-.18,-2.3,;-1.52,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.16,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;2.99,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.65,-5.08,;-6.55,-3.84,;-5.65,-2.59,;-6.27,-1.19,;-7.81,-1.02,;-8.71,-2.27,;-10.2,-1.87,;-8.08,-3.68,;-9.17,-4.77,;-.18,-.76,;1.15,.01,;2.49,-.76,;3.82,.01,;5.15,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.48,-3.06,;9.28,-2.79,;10.2,-1.55,;9.28,-.3,;9.68,1.19,)| Show InChI InChI=1S/C31H36ClFN2O6/c1-40-27-16-20(4-11-26(27)41-15-14-35-28(36)12-13-29(35)37)18-34(17-19-2-5-21(6-3-19)31(38)39)25-10-8-23-22(25)7-9-24(32)30(23)33/h4,7,9,11,16,19,21,25H,2-3,5-6,8,10,12-15,17-18H2,1H3,(H,38,39)/t19-,21-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166589 (US9073853, 148) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.15,-2.3,;3.82,-3.07,;2.49,-2.3,;1.15,-3.07,;-.18,-2.3,;-1.52,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.16,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;2.99,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.65,-5.08,;-6.55,-3.84,;-5.65,-2.59,;-6.27,-1.19,;-7.81,-1.02,;-8.71,-2.27,;-10.2,-1.87,;-8.08,-3.68,;-9.17,-4.77,;-.18,-.76,;1.15,.01,;2.49,-.76,;3.82,.01,;5.15,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.48,-3.06,;9.28,-2.79,;10.2,-1.55,;9.28,-.3,;9.68,1.19,)| Show InChI InChI=1S/C31H36ClFN2O6/c1-40-27-16-20(4-11-26(27)41-15-14-35-28(36)12-13-29(35)37)18-34(17-19-2-5-21(6-3-19)31(38)39)25-10-8-23-22(25)7-9-24(32)30(23)33/h4,7,9,11,16,19,21,25H,2-3,5-6,8,10,12-15,17-18H2,1H3,(H,38,39)/t19-,21-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50170230 (CHEMBL445990) Show SMILES Oc1noc2cc(Cl)ccc12 Show InChI InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)	PDB MMDB 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	27	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human DAAO using D-KYN as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by FP-6300-based flu...				Bioorg Med Chem 26: 1579-1587 (2018) Article DOI: 10.1016/j.bmc.2018.02.004 BindingDB Entry DOI: 10.7270/Q2VQ359V
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166477 (US9073853, 36) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)COC1=O |r,wU:17.18,8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.49,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;7.48,-2.54,;6.15,-3.31,;8.95,-3.01,;9.85,-1.77,;8.95,-.52,;9.35,.97,)| Show InChI InChI=1S/C29H35ClN2O7/c1-19(22-8-10-24(30)11-9-22)31(16-20-3-6-23(7-4-20)28(34)35)17-21-5-12-25(26(15-21)37-2)38-14-13-32-27(33)18-39-29(32)36/h5,8-12,15,19-20,23H,3-4,6-7,13-14,16-18H2,1-2H3,(H,34,35)/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249720 (US9447038, 148) Show SMILES COc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C32H40N2O7/c1-39-29-17-23(7-9-28(29)41-16-14-34-30(35)11-12-31(34)36)21-33(20-22-5-3-2-4-6-22)26(19-32(37)38)24-8-10-27-25(18-24)13-15-40-27/h7-10,17-18,22,26H,2-6,11-16,19-21H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249696 (US9447038, 124) Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCn1c(=O)ccn(C)c1=O Show InChI InChI=1S/C28H31Cl2N3O6/c1-31-10-9-26(34)33(28(31)37)11-12-39-24-8-5-19(13-25(24)38-2)17-32(16-18-3-4-18)23(15-27(35)36)20-6-7-21(29)22(30)14-20/h5-10,13-14,18,23H,3-4,11-12,15-17H2,1-2H3,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Rattus norvegicus)	BDBM50051539 ((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CHINOIN, Ltd Curated by ChEMBL					Assay Description Inhibition of POP in Sprague-Dawley rat brain homogenates				J Med Chem 51: 7514-22 (2009) Article DOI: 10.1021/jm800944x BindingDB Entry DOI: 10.7270/Q2NG4QFC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM249600 (US9447038, 28) Show SMILES CCc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r| Show InChI InChI=1S/C30H37ClN2O5/c1-2-23-17-22(7-12-27(23)38-16-15-33-28(34)13-14-29(33)35)20-32(19-21-5-3-4-6-21)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,21,26H,2-6,13-16,18-20H2,1H3,(H,36,37)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249659 (US9447038, 87) Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(CC)c1)C(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H35ClN2O5/c1-3-5-14-30(24(18-28(34)35)22-7-9-23(29)10-8-22)19-20-6-11-25(21(4-2)17-20)36-16-15-31-26(32)12-13-27(31)33/h6-11,17,24H,3-5,12-16,18-19H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249601 (US9447038, 29) Show SMILES CCc1cc(CN(CC2CCCC2)[C@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r| Show InChI InChI=1S/C30H37ClN2O5/c1-2-23-17-22(7-12-27(23)38-16-15-33-28(34)13-14-29(33)35)20-32(19-21-5-3-4-6-21)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,21,26H,2-6,13-16,18-20H2,1H3,(H,36,37)/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249760 (US9447038, 188) Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1SCCN1C(=O)CCC1=O Show InChI InChI=1S/C29H35ClN2O5S/c1-37-25-16-21(6-11-26(25)38-15-14-32-27(33)12-13-28(32)34)19-31(18-20-4-2-3-5-20)24(17-29(35)36)22-7-9-23(30)10-8-22/h6-11,16,20,24H,2-5,12-15,17-19H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166450 (US9073853, 9) Show SMILES C[C@@H](N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc(Cl)cc1 |r,wU:4.3,wD:1.0,7.10,(-4.52,-4.85,;-4.52,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.5,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-1.85,-3.31,;-.52,-2.54,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;8.95,-.52,;9.72,.81,;9.85,-1.77,;8.95,-3.01,;7.48,-2.54,;6.15,-3.31,;2.15,-2.54,;3.48,-3.31,;.82,-3.31,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,)| Show InChI InChI=1S/C30H37ClN2O5/c1-20-17-23(5-12-27(20)38-16-15-33-28(34)13-14-29(33)35)19-32(21(2)24-8-10-26(31)11-9-24)18-22-3-6-25(7-4-22)30(36)37/h5,8-12,17,21-22,25H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t21-,22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM249596 (US9447038, 24) Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C27H32ClFN2O5/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249596 (US9447038, 24) Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C27H32ClFN2O5/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249574 (US9447038, 2) Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C27H33ClN2O6/c1-18(2)16-29(22(15-27(33)34)20-5-7-21(28)8-6-20)17-19-4-9-23(24(14-19)35-3)36-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,22H,10-13,15-17H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C motif chemokine 10 (Homo sapiens (Human))	BDBM249646 (US9447038, 74) Show SMILES Cc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C27H30ClFN2O5/c1-17-12-19(4-7-24(17)36-11-10-31-25(32)8-9-26(31)33)16-30(15-18-2-3-18)23(14-27(34)35)20-5-6-21(28)22(29)13-20/h4-7,12-13,18,23H,2-3,8-11,14-16H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM249574 (US9447038, 2) Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C27H33ClN2O6/c1-18(2)16-29(22(15-27(33)34)20-5-7-21(28)8-6-20)17-19-4-9-23(24(14-19)35-3)36-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,22H,10-13,15-17H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166457 (US9073853, 16) Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc2OCCc2c1 |r,wU:4.3,wD:7.10,(-4,-4.85,;-4,-3.31,;-2.67,-2.54,;-2.67,-1,;-1.58,.09,;-1.98,1.58,;-.89,2.67,;.6,2.27,;1,.78,;-.09,-.31,;1.69,3.36,;1.29,4.85,;3.18,2.96,;-1.33,-3.31,;,-2.54,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;8,-2.54,;6.67,-3.31,;9.47,-3.01,;10.37,-1.77,;9.47,-.52,;9.87,.97,;2.67,-2.54,;4,-3.31,;1.33,-3.31,;-5.33,-2.54,;-5.33,-1,;-6.67,-.23,;-8,-1,;-9.47,-.52,;-10.37,-1.77,;-9.47,-3.01,;-8,-2.54,;-6.67,-3.31,)| Show InChI InChI=1S/C31H37ClN2O6/c1-20(24-7-9-27-25(17-24)12-14-39-27)33(18-21-2-5-23(6-3-21)31(37)38)19-22-4-8-28(26(32)16-22)40-15-13-34-29(35)10-11-30(34)36/h4,7-9,16-17,20-21,23H,2-3,5-6,10-15,18-19H2,1H3,(H,37,38)/t20?,21-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displac...				US Patent US9073853 (2015) BindingDB Entry DOI: 10.7270/Q2Q23Z10
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM166457 (US9073853, 16) Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc2OCCc2c1 |r,wU:4.3,wD:7.10,(-4,-4.85,;-4,-3.31,;-2.67,-2.54,;-2.67,-1,;-1.58,.09,;-1.98,1.58,;-.89,2.67,;.6,2.27,;1,.78,;-.09,-.31,;1.69,3.36,;1.29,4.85,;3.18,2.96,;-1.33,-3.31,;,-2.54,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;8,-2.54,;6.67,-3.31,;9.47,-3.01,;10.37,-1.77,;9.47,-.52,;9.87,.97,;2.67,-2.54,;4,-3.31,;1.33,-3.31,;-5.33,-2.54,;-5.33,-1,;-6.67,-.23,;-8,-1,;-9.47,-.52,;-10.37,-1.77,;-9.47,-3.01,;-8,-2.54,;-6.67,-3.31,)| Show InChI InChI=1S/C31H37ClN2O6/c1-20(24-7-9-27-25(17-24)12-14-39-27)33(18-21-2-5-23(6-3-21)31(37)38)19-22-4-8-28(26(32)16-22)40-15-13-34-29(35)10-11-30(34)36/h4,7-9,16-17,20-21,23H,2-3,5-6,10-15,18-19H2,1H3,(H,37,38)/t20?,21-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 566 total )  |  Next  |  Last  >>

Jump to: