Found 4 hits in this display 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)) | BDBM166471
(US9073853, 30)Show SMILES Cc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:16.16,7.6,wD:10.13,(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/C31H37ClN2O5/c1-20-16-22(4-11-28(20)39-15-14-34-29(35)12-13-30(34)36)19-33(18-21-2-5-23(6-3-21)31(37)38)27-10-7-24-17-25(32)8-9-26(24)27/h4,8-9,11,16-17,21,23,27H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t21-,23-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 53 | 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)) | BDBM166471
(US9073853, 30)Show SMILES Cc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:16.16,7.6,wD:10.13,(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/C31H37ClN2O5/c1-20-16-22(4-11-28(20)39-15-14-34-29(35)12-13-30(34)36)19-33(18-21-2-5-23(6-3-21)31(37)38)27-10-7-24-17-25(32)8-9-26(24)27/h4,8-9,11,16-17,21,23,27H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t21-,23-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | 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)) | BDBM166470
(US9073853, 29)Show SMILES Cc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:7.6,wD:10.13,(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/C31H37ClN2O5/c1-20-16-22(4-11-28(20)39-15-14-34-29(35)12-13-30(34)36)19-33(18-21-2-5-23(6-3-21)31(37)38)27-10-7-24-17-25(32)8-9-26(24)27/h4,8-9,11,16-17,21,23,27H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t21-,23-,27? | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 150 | 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)) | BDBM166472
(US9073853, 31)Show SMILES Cc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:7.6,wD:16.16,10.13,(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/C31H37ClN2O5/c1-20-16-22(4-11-28(20)39-15-14-34-29(35)12-13-30(34)36)19-33(18-21-2-5-23(6-3-21)31(37)38)27-10-7-24-17-25(32)8-9-26(24)27/h4,8-9,11,16-17,21,23,27H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t21-,23-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 360 | 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 | |