Found 2 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)) | BDBM50200678
(CHEMBL3970774)Show SMILES C[C@H](N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)c1ccc(Cl)cc1 |r,wU:1.0,4.3,wD:7.10,(33.96,-33.61,;33.96,-32.07,;35.32,-31.35,;35.32,-29.8,;36.72,-29.07,;36.72,-27.54,;38.13,-26.81,;39.44,-27.62,;39.44,-29.16,;38.03,-29.89,;40.79,-26.9,;42.1,-27.71,;40.79,-25.36,;36.59,-32.15,;36.59,-33.69,;35.23,-34.42,;35.23,-35.96,;36.5,-36.76,;36.5,-38.3,;37.76,-39.11,;37.76,-40.65,;36.4,-41.52,;36.4,-43.06,;37.61,-44.01,;34.92,-43.5,;34.05,-42.22,;32.51,-42.22,;35,-41,;34.56,-39.52,;37.86,-36.03,;39.17,-36.83,;37.86,-34.49,;32.65,-31.27,;31.29,-31.99,;30.04,-31.19,;30.04,-29.65,;28.73,-28.83,;31.38,-28.92,;32.65,-29.72,)| Show InChI InChI=1S/C30H38ClN3O5/c1-20-16-23(6-13-27(20)39-15-14-34-28(35)19-32(3)30(34)38)18-33(21(2)24-9-11-26(31)12-10-24)17-22-4-7-25(8-5-22)29(36)37/h6,9-13,16,21-22,25H,4-5,7-8,14-15,17-19H2,1-3H3,(H,36,37)/t21-,22-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 99 | 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)) | BDBM166480
(US9073853, 39)Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)c1ccc(Cl)cc1 |r,wU:4.3,wD:7.10,(-5.29,-4.85,;-5.29,-3.31,;-3.96,-2.54,;-3.96,-1,;-2.87,.09,;-3.26,1.58,;-2.18,2.67,;-.69,2.27,;-.29,.78,;-1.38,-.31,;.4,3.36,;0,4.85,;1.89,2.96,;-2.62,-3.31,;-1.29,-2.54,;-1.29,-1,;.05,-.23,;1.38,-1,;2.71,-.23,;4.05,-1,;5.38,-.23,;6.71,-1,;6.71,-2.54,;5.38,-3.31,;8.18,-3.01,;9.08,-1.77,;10.62,-1.77,;8.18,-.52,;8.58,.97,;1.38,-2.54,;2.71,-3.31,;.05,-3.31,;-6.62,-2.54,;-6.62,-1,;-7.96,-.23,;-9.29,-1,;-10.62,-.23,;-9.29,-2.54,;-7.96,-3.31,)| Show InChI InChI=1S/C30H38ClN3O5/c1-20-16-23(6-13-27(20)39-15-14-34-28(35)19-32(3)30(34)38)18-33(21(2)24-9-11-26(31)12-10-24)17-22-4-7-25(8-5-22)29(36)37/h6,9-13,16,21-22,25H,4-5,7-8,14-15,17-19H2,1-3H3,(H,36,37)/t21?,22-,25- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 99 | 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 | |