Found 3 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)) | 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)) | BDBM50200693
(CHEMBL3965002)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(32.38,-52.25,;33.71,-51.47,;35.05,-52.22,;36.38,-51.44,;37.72,-52.21,;39.05,-51.43,;39.05,-49.9,;40.37,-49.12,;41.71,-49.88,;43.04,-49.09,;44.39,-49.85,;44.39,-51.39,;43.05,-52.17,;41.71,-51.41,;45.5,-52.46,;45.13,-53.96,;46.97,-52.03,;37.71,-49.14,;36.38,-49.92,;37.71,-47.6,;39.03,-46.83,;39.03,-45.29,;37.68,-44.53,;37.34,-43.02,;35.8,-42.87,;35.18,-44.29,;36.34,-45.32,;36.34,-46.85,;37.72,-53.75,;36.41,-54.53,;35.05,-53.77,;33.74,-54.56,;32.4,-53.8,;31.08,-54.59,;29.82,-53.7,;28.36,-54.19,;27.91,-55.66,;27.44,-52.96,;28.33,-51.7,;29.82,-52.16,;31.04,-51.24,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 60 | 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)) | BDBM166444
(US9073853, 3)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H](C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:17.18,11.14,(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-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 60 | 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 | |