Compile Data Set for Download or QSAR

Found 529 hits with Last Name = 'vasas' and Initial = 'a'   

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))	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
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 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 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 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))	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
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM507637 (1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[4-hydroxy...) Show SMILES OC1(Cn2cnc3n(ncc3c2=O)-c2ccc3OCCOc3c2)CCN(CC1)C(=O)[C@@H]1CCNC[C@H]1c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description USP7 activity was measured using Rhodamine-110 c-terminal labelled Ubiquitin as a substrate (Viva Biosciences). Incubation with USP7 results in the r...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TQ64P6
					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 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))	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 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))	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 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 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	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 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 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 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 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))	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
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 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
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM507626 (3-[[4-hydroxy-1-[(3R,4R)-3-phenylpiperidine-4-carb...) Show SMILES COc1ccc(cc1)-n1ccc2c1ncn(CC1(O)CCN(CC1)C(=O)[C@@H]1CCNC[C@H]1c1ccccc1)c2=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description USP7 activity was measured using Rhodamine-110 c-terminal labelled Ubiquitin as a substrate (Viva Biosciences). Incubation with USP7 results in the r...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TQ64P6
					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
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))	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 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
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM507620 (3-[[4-hydroxy-1-[(3R,4R)-3-phenylpiperidine-4-carb...) Show SMILES OC1(Cn2cnc3n(ccc3c2=O)-c2ccccc2)CCN(CC1)C(=O)[C@@H]1CCNC[C@H]1c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description USP7 activity was measured using Rhodamine-110 c-terminal labelled Ubiquitin as a substrate (Viva Biosciences). Incubation with USP7 results in the r...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TQ64P6
					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 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))	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 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 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	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
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))	BDBM50200713 (CHEMBL3915994) Show SMILES Cc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r| Show InChI InChI=1S/C29H35ClN2O5/c1-20-16-22(6-11-26(20)37-15-14-32-27(33)12-13-28(32)34)19-31(18-21-4-2-3-5-21)25(17-29(35)36)23-7-9-24(30)10-8-23/h6-11,16,21,25H,2-5,12-15,17-19H2,1H3,(H,35,36)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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))	BDBM166445 (US9073853, 4) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r,wU:17.18,8.7,wD:11.14,(5.33,-2.54,;4,-3.31,;2.67,-2.54,;1.33,-3.31,;,-2.54,;-1.33,-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,;-4,-3.31,;-4,-4.85,;-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,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;9.47,-.52,;10.24,.81,;10.37,-1.77,;9.47,-3.01,;8,-2.54,;6.67,-3.31,)| Show InChI InChI=1S/C32H40N2O7/c1-21(25-8-10-27-26(18-25)13-15-40-27)33(19-22-3-6-24(7-4-22)32(37)38)20-23-5-9-28(29(17-23)39-2)41-16-14-34-30(35)11-12-31(34)36/h5,8-10,17-18,21-22,24H,3-4,6-7,11-16,19-20H2,1-2H3,(H,37,38)/t21-,22-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	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))	BDBM166456 (US9073853, 15) Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CSC1=O |r,wU:8.7,wD:11.14,(5.33,-2.54,;4,-3.31,;2.67,-2.54,;1.33,-3.31,;,-2.54,;-1.33,-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,;-4,-3.31,;-4,-4.85,;-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,;,-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,)| Show InChI InChI=1S/C31H38N2O7S/c1-20(24-8-10-26-25(16-24)11-13-39-26)32(17-21-3-6-23(7-4-21)30(35)36)18-22-5-9-27(28(15-22)38-2)40-14-12-33-29(34)19-41-31(33)37/h5,8-10,15-16,20-21,23H,3-4,6-7,11-14,17-19H2,1-2H3,(H,35,36)/t20?,21-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	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

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