Found 163 hits with Last Name = 'weichsel' 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)) | 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)) | 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)) | 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
| 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)) | 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)) | 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
| 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)) | 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)) | 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 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 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)) | 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)) | 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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM166448
(US9073853, 7)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:1.0,4.3,wD: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-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 38 | 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)) | BDBM166474
(US9073853, 33)Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CSC2=O)c(C)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/C31H38N2O6S/c1-20-15-23(5-9-27(20)39-14-12-33-29(34)19-40-31(33)37)18-32(17-22-3-6-24(7-4-22)30(35)36)21(2)25-8-10-28-26(16-25)11-13-38-28/h5,8-10,15-16,21-22,24H,3-4,6-7,11-14,17-19H2,1-2H3,(H,35,36)/t21?,22-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 42 | 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)) | BDBM166458
(US9073853, 17)Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)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/C32H40N2O6/c1-21-17-24(5-9-28(21)40-16-14-34-30(35)11-12-31(34)36)20-33(19-23-3-6-25(7-4-23)32(37)38)22(2)26-8-10-29-27(18-26)13-15-39-29/h5,8-10,17-18,22-23,25H,3-4,6-7,11-16,19-20H2,1-2H3,(H,37,38)/t22?,23-,25- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 44 | 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)) | BDBM166517
(US9073853, 76)Show SMILES CCc1cc(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,(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/C33H42N2O6/c1-3-25-18-24(6-10-29(25)41-17-15-35-31(36)12-13-32(35)37)21-34(20-23-4-7-26(8-5-23)33(38)39)22(2)27-9-11-30-28(19-27)14-16-40-30/h6,9-11,18-19,22-23,26H,3-5,7-8,12-17,20-21H2,1-2H3,(H,38,39)/t22?,23-,26- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | 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)) | BDBM166516
(US9073853, 75)Show SMILES CCc1cc(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,;-2.49,1.58,;-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/C31H39ClN2O5/c1-3-24-18-23(6-13-28(24)39-17-16-34-29(35)14-15-30(34)36)20-33(21(2)25-9-11-27(32)12-10-25)19-22-4-7-26(8-5-22)31(37)38/h6,9-13,18,21-22,26H,3-5,7-8,14-17,19-20H2,1-2H3,(H,37,38)/t21-,22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | 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)) | BDBM166523
(US9073853, 82)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(3.48,-4.85,;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/C30H36ClFN2O6/c1-19(23-8-9-24(31)25(32)16-23)33(17-20-3-6-22(7-4-20)30(37)38)18-21-5-10-26(27(15-21)39-2)40-14-13-34-28(35)11-12-29(34)36/h5,8-10,15-16,19-20,22H,3-4,6-7,11-14,17-18H2,1-2H3,(H,37,38)/t19?,20-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 46 | 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)) | BDBM166530
(US9073853, 89)Show SMILES CCc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc(Cl)c(F)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/C31H38ClFN2O5/c1-3-23-16-22(6-11-28(23)40-15-14-35-29(36)12-13-30(35)37)19-34(18-21-4-7-24(8-5-21)31(38)39)20(2)25-9-10-26(32)27(33)17-25/h6,9-11,16-17,20-21,24H,3-5,7-8,12-15,18-19H2,1-2H3,(H,38,39)/t20?,21-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 52 | 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
| 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)) | BDBM166546
(US9073853, 105)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+/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)) | BDBM166460
(US9073853, 19)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)COC1=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/C31H38N2O8/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
| US Patent
| n/a | n/a | 55 | 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)) | BDBM166510
(US9073853, 69)Show SMILES CCC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc2OCCc2c1 |r,wU:5.4,wD:8.11,(-5.33,-5.23,;-4,-4.46,;-4,-2.92,;-2.67,-2.15,;-2.67,-.61,;-1.58,.48,;-1.98,1.96,;-.89,3.05,;.6,2.66,;1,1.17,;-.09,.08,;1.69,3.74,;1.29,5.23,;3.18,3.35,;-1.33,-2.92,;,-2.15,;,-.61,;1.33,.16,;2.67,-.61,;4,.16,;5.33,-.61,;6.67,.16,;8,-.61,;8,-2.15,;6.67,-2.92,;9.47,-2.63,;10.37,-1.38,;9.47,-.14,;9.87,1.35,;2.67,-2.15,;4,-2.92,;1.33,-2.92,;-5.33,-2.15,;-5.33,-.61,;-6.67,.16,;-8,-.61,;-9.47,-.14,;-10.37,-1.38,;-9.47,-2.63,;-8,-2.15,;-6.67,-2.92,)| Show InChI InChI=1S/C33H42N2O6/c1-3-28(26-9-11-30-27(19-26)14-16-40-30)34(20-23-4-7-25(8-5-23)33(38)39)21-24-6-10-29(22(2)18-24)41-17-15-35-31(36)12-13-32(35)37/h6,9-11,18-19,23,25,28H,3-5,7-8,12-17,20-21H2,1-2H3,(H,38,39)/t23-,25-,28? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 56 | 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)) | BDBM166567
(US9073853, 126)Show SMILES COc1cc(CN(C(C)c2ccc3OCCc3c2)C2CC(C2)C(O)=O)ccc1OCCN1C(=O)CCC1=O |(5.33,-1.86,;4,-2.63,;2.67,-1.86,;1.33,-2.63,;,-1.86,;-1.33,-2.63,;-2.67,-1.86,;-4,-2.63,;-4,-4.17,;-5.33,-1.86,;-5.33,-.32,;-6.67,.45,;-8,-.32,;-9.47,.16,;-10.37,-1.09,;-9.47,-2.33,;-8,-1.86,;-6.67,-2.63,;-2.67,-.32,;-1.58,.77,;-2.67,1.86,;-3.76,.77,;-2.67,3.4,;-4,4.17,;-1.33,4.17,;,-.32,;1.33,.45,;2.67,-.32,;4,.45,;5.33,-.32,;6.67,.45,;8,-.32,;8,-1.86,;6.67,-2.63,;9.47,-2.33,;10.37,-1.09,;9.47,.16,;9.87,1.64,)| Show InChI InChI=1S/C29H34N2O7/c1-18(20-4-6-24-21(14-20)9-11-37-24)31(23-15-22(16-23)29(34)35)17-19-3-5-25(26(13-19)36-2)38-12-10-30-27(32)7-8-28(30)33/h3-6,13-14,18,22-23H,7-12,15-17H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 58 | 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)) | BDBM166465
(US9073853, 24)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CSC1=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,;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/C30H35ClN2O6S/c1-38-27-14-20(4-11-26(27)39-13-12-33-28(34)18-40-30(33)37)17-32(16-19-2-5-21(6-3-19)29(35)36)25-10-7-22-15-23(31)8-9-24(22)25/h4,8-9,11,14-15,19,21,25H,2-3,5-7,10,12-13,16-18H2,1H3,(H,35,36)/t19-,21-,25? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 58 | 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)) | BDBM166441
(US9073853, 1)Show SMILES COc1cc(CN(CC2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r,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- | 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 | |
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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM166504
(US9073853, 63)Show SMILES CCC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(-5.85,-5.23,;-4.52,-4.46,;-4.52,-2.92,;-3.19,-2.15,;-3.19,-.61,;-2.1,.48,;-2.49,1.96,;-1.41,3.05,;.08,2.66,;.48,1.17,;-.61,.08,;1.17,3.74,;.77,5.23,;2.66,3.35,;-1.85,-2.92,;-.52,-2.15,;-.52,-.61,;.82,.16,;2.15,-.61,;3.48,.16,;4.82,-.61,;6.15,.16,;7.48,-.61,;7.48,-2.15,;6.15,-2.92,;8.95,-2.63,;9.85,-1.38,;8.95,-.14,;9.35,1.35,;2.15,-2.15,;3.48,-2.92,;3.48,-4.46,;.82,-2.92,;-5.85,-2.15,;-5.85,-.61,;-7.19,.16,;-8.52,-.61,;-9.85,.16,;-8.52,-2.15,;-7.19,-2.92,)| Show InChI InChI=1S/C31H39ClN2O6/c1-3-26(23-9-11-25(32)12-10-23)33(19-21-4-7-24(8-5-21)31(37)38)20-22-6-13-27(28(18-22)39-2)40-17-16-34-29(35)14-15-30(34)36/h6,9-13,18,21,24,26H,3-5,7-8,14-17,19-20H2,1-2H3,(H,37,38)/t21-,24-,26? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 62 | 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)) | BDBM166467
(US9073853, 26)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)c(C)c2)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,;-2.49,1.58,;-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-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 64 | 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
| US Patent
| n/a | n/a | 64 | 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)) | BDBM166459
(US9073853, 18)Show SMILES CCC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1 |r,wU:5.4,wD:8.11,(-5.33,-5.23,;-4,-4.46,;-4,-2.92,;-2.67,-2.15,;-2.67,-.61,;-1.58,.48,;-1.98,1.96,;-.89,3.05,;.6,2.66,;1,1.17,;-.09,.08,;1.69,3.74,;1.29,5.23,;3.18,3.35,;-1.33,-2.92,;,-2.15,;,-.61,;1.33,.16,;2.67,-.61,;4,.16,;5.33,-.61,;6.67,.16,;8,-.61,;8,-2.15,;6.67,-2.92,;9.47,-2.63,;10.37,-1.38,;9.47,-.14,;9.87,1.35,;2.67,-2.15,;4,-2.92,;5.33,-2.15,;1.33,-2.92,;-5.33,-2.15,;-5.33,-.61,;-6.67,.16,;-8,-.61,;-9.47,-.14,;-10.37,-1.38,;-9.47,-2.63,;-8,-2.15,;-6.67,-2.92,)| Show InChI InChI=1S/C33H42N2O7/c1-3-27(25-9-11-28-26(19-25)14-16-41-28)34(20-22-4-7-24(8-5-22)33(38)39)21-23-6-10-29(30(18-23)40-2)42-17-15-35-31(36)12-13-32(35)37/h6,9-11,18-19,22,24,27H,3-5,7-8,12-17,20-21H2,1-2H3,(H,38,39)/t22-,24-,27? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 64 | 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)) | BDBM166484
(US9073853, 43)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2CCc3c2ccc(Cl)c3C)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,;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,;-8.85,-5.01,;-.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/C32H39ClN2O6/c1-20-24-9-11-27(25(24)8-10-26(20)33)34(18-21-3-6-23(7-4-21)32(38)39)19-22-5-12-28(29(17-22)40-2)41-16-15-35-30(36)13-14-31(35)37/h5,8,10,12,17,21,23,27H,3-4,6-7,9,11,13-16,18-19H2,1-2H3,(H,38,39)/t21-,23-,27? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 68 | 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)) | BDBM166595
(US9073853, 154)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc(cc2)C(F)(F)F)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(5.48,-2.54,;4.15,-3.31,;2.81,-2.54,;1.48,-3.31,;.14,-2.54,;-1.19,-3.31,;-2.52,-2.54,;-2.52,-1,;-1.43,.09,;-1.83,1.58,;-.74,2.67,;.74,2.27,;1.14,.78,;.05,-.31,;1.83,3.36,;1.43,4.85,;3.32,2.96,;-3.86,-3.31,;-3.86,-4.85,;-5.19,-2.54,;-5.19,-1,;-6.52,-.23,;-7.86,-1,;-7.86,-2.54,;-6.52,-3.31,;-9.19,-.23,;-9.19,1.31,;-10.52,-1,;-7.86,.54,;.14,-1,;1.48,-.23,;2.81,-1,;4.15,-.23,;5.48,-1,;6.81,-.23,;8.15,-1,;8.15,-2.54,;6.81,-3.3,;9.61,-3.03,;10.52,-1.79,;9.61,-.54,;10,.95,)| Show InChI InChI=1S/C31H37F3N2O6/c1-20(23-8-10-25(11-9-23)31(32,33)34)35(18-21-3-6-24(7-4-21)30(39)40)19-22-5-12-26(27(17-22)41-2)42-16-15-36-28(37)13-14-29(36)38/h5,8-12,17,20-21,24H,3-4,6-7,13-16,18-19H2,1-2H3,(H,39,40)/t20?,21-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 70 | 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)) | BDBM166563
(US9073853, 122)Show SMILES COc1cc(CN([C@H](C)c2ccc3OCCc3c2)[C@H]2C[C@H](C2)C(O)=O)ccc1OCCn1c(=O)ccn(C)c1=O |r,wU:18.19,20.24,wD:7.7,(3.85,-4.17,;3.85,-2.63,;2.52,-1.86,;1.18,-2.63,;-.15,-1.86,;-1.48,-2.63,;-2.82,-1.86,;-4.15,-2.63,;-4.15,-4.17,;-5.48,-1.86,;-5.48,-.32,;-6.82,.45,;-8.15,-.32,;-9.62,.16,;-10.52,-1.09,;-9.62,-2.33,;-8.15,-1.86,;-6.82,-2.63,;-2.82,-.32,;-3.91,.77,;-2.82,1.86,;-1.73,.77,;-2.82,3.4,;-4.15,4.17,;-1.48,4.17,;-.15,-.32,;1.18,.45,;2.52,-.32,;3.85,.45,;5.19,-.32,;6.52,.45,;7.85,-.32,;9.19,.45,;9.19,1.99,;10.52,-.32,;10.52,-1.86,;9.19,-2.63,;9.19,-4.17,;7.85,-1.86,;6.52,-2.63,)| Show InChI InChI=1S/C30H35N3O7/c1-19(21-5-7-25-22(15-21)9-12-39-25)33(24-16-23(17-24)29(35)36)18-20-4-6-26(27(14-20)38-3)40-13-11-32-28(34)8-10-31(2)30(32)37/h4-8,10,14-15,19,23-24H,9,11-13,16-18H2,1-3H3,(H,35,36)/t19-,23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 70 | 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)) | BDBM166526
(US9073853, 85)Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(CO)c1)c1ccc(Cl)cc1 |r,wU:4.3,wD:7.10,(-4.52,-4.85,;-4.52,-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,;-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,;7.48,-2.54,;6.15,-3.31,;8.95,-3.01,;9.85,-1.77,;8.95,-.52,;9.35,.97,;2.15,-2.54,;3.48,-3.31,;4.82,-2.54,;.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/C30H37ClN2O6/c1-20(23-7-9-26(31)10-8-23)32(17-21-2-5-24(6-3-21)30(37)38)18-22-4-11-27(25(16-22)19-34)39-15-14-33-28(35)12-13-29(33)36/h4,7-11,16,20-21,24,34H,2-3,5-6,12-15,17-19H2,1H3,(H,37,38)/t20?,21-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 71 | 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)) | BDBM166598
(US9073853, 157)Show SMILES CN1CC(=O)N(CCOc2ccc(CN(C[C@H]3CC[C@@H](CC3)C(O)=O)[C@H]3CCc4c3ccc(Cl)c4F)cc2C)C1=O |r,wU:25.25,16.15,wD:19.22,(10.96,-1.53,;9.42,-1.53,;8.52,-2.77,;7.05,-2.3,;5.72,-3.07,;7.05,-.76,;5.72,.01,;4.39,-.76,;3.05,.01,;1.72,-.76,;.39,.01,;-.95,-.76,;-.95,-2.3,;-2.28,-3.07,;-3.62,-2.3,;-3.62,-.76,;-2.53,.33,;-2.92,1.82,;-1.84,2.91,;-.35,2.51,;.05,1.02,;-1.04,-.07,;.74,3.6,;.34,5.08,;2.23,3.2,;-4.95,-3.07,;-4.95,-4.61,;-6.41,-5.08,;-7.32,-3.84,;-6.41,-2.59,;-7.04,-1.19,;-8.57,-1.02,;-9.48,-2.27,;-10.96,-1.87,;-8.85,-3.68,;-9.94,-4.77,;.39,-3.07,;1.72,-2.3,;3.05,-3.07,;8.52,-.28,;8.92,1.2,)| Show InChI InChI=1S/C31H37ClFN3O5/c1-19-15-21(5-12-27(19)41-14-13-36-28(37)18-34(2)31(36)40)17-35(16-20-3-6-22(7-4-20)30(38)39)26-11-9-24-23(26)8-10-25(32)29(24)33/h5,8,10,12,15,20,22,26H,3-4,6-7,9,11,13-14,16-18H2,1-2H3,(H,38,39)/t20-,22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 71 | 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)) | BDBM166558
(US9073853, 117)Show SMILES CCC(N(C[C@H]1[C@H](C(O)=O)C1(C)C)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H37ClN2O6/c1-5-23(20-7-9-21(31)10-8-20)32(18-22-28(29(36)37)30(22,2)3)17-19-6-11-24(25(16-19)38-4)39-15-14-33-26(34)12-13-27(33)35/h6-11,16,22-23,28H,5,12-15,17-18H2,1-4H3,(H,36,37)/t22-,23?,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 71 | 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)) | BDBM166550
(US9073853, 109)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 | 73 | 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)) | BDBM166478
(US9073853, 37)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O |r,wU:17.18,8.7,wD:11.14,(4.67,-2.54,;3.33,-3.31,;2,-2.54,;.67,-3.31,;-.67,-2.54,;-2,-3.31,;-3.33,-2.54,;-3.33,-1,;-2.25,.09,;-2.64,1.58,;-1.55,2.67,;-.07,2.27,;.33,.78,;-.76,-.31,;1.02,3.36,;.62,4.85,;2.51,2.96,;-4.67,-3.31,;-4.67,-4.85,;-6,-2.54,;-6,-1,;-7.34,-.23,;-8.67,-1,;-10,-.23,;-8.67,-2.54,;-7.34,-3.31,;-.67,-1,;.67,-.23,;2,-1,;3.33,-.23,;4.67,-1,;6,-.23,;7.34,-1,;8.67,-.23,;8.67,1.31,;10,-1,;10,-2.54,;8.67,-3.31,;8.67,-4.85,;7.34,-2.54,;6,-3.31,)| Show InChI InChI=1S/C31H38ClN3O6/c1-21(24-9-11-26(32)12-10-24)34(19-22-4-7-25(8-5-22)30(37)38)20-23-6-13-27(28(18-23)40-3)41-17-16-35-29(36)14-15-33(2)31(35)39/h6,9-15,18,21-22,25H,4-5,7-8,16-17,19-20H2,1-3H3,(H,37,38)/t21-,22-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 76 | 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)) | BDBM166508
(US9073853, 67)Show SMILES CCC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(-6.62,-5.23,;-5.29,-4.46,;-5.29,-2.92,;-3.96,-2.15,;-3.96,-.61,;-2.87,.48,;-3.26,1.96,;-2.18,3.05,;-.69,2.66,;-.29,1.17,;-1.38,.08,;.4,3.74,;0,5.23,;1.89,3.35,;-2.62,-2.92,;-1.29,-2.15,;-1.29,-.61,;.05,.16,;1.38,-.61,;2.71,.16,;4.05,-.61,;5.38,.16,;6.71,-.61,;6.71,-2.15,;5.38,-2.92,;8.18,-2.63,;9.08,-1.38,;10.62,-1.38,;8.18,-.14,;8.58,1.35,;1.38,-2.15,;2.71,-2.92,;2.71,-4.46,;.05,-2.92,;-6.62,-2.15,;-6.62,-.61,;-7.96,.16,;-9.29,-.61,;-10.62,.16,;-9.29,-2.15,;-7.96,-2.92,)| Show InChI InChI=1S/C31H40ClN3O6/c1-4-26(23-10-12-25(32)13-11-23)34(18-21-5-8-24(9-6-21)30(37)38)19-22-7-14-27(28(17-22)40-3)41-16-15-35-29(36)20-33(2)31(35)39/h7,10-14,17,21,24,26H,4-6,8-9,15-16,18-20H2,1-3H3,(H,37,38)/t21-,24-,26? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 77 | 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)) | BDBM166597
(US9073853, 156)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)c2ccccc2C1=O |r,wU:17.17,8.7,wD:11.14,(3.97,-2.3,;2.63,-3.07,;1.3,-2.3,;-.03,-3.07,;-1.37,-2.3,;-2.7,-3.07,;-4.03,-2.3,;-4.03,-.76,;-2.95,.33,;-3.34,1.82,;-2.25,2.91,;-.77,2.51,;-.37,1.02,;-1.46,-.07,;.32,3.6,;-.08,5.08,;1.81,3.2,;-5.37,-3.07,;-5.37,-4.61,;-6.83,-5.08,;-7.74,-3.84,;-9.27,-3.68,;-9.9,-2.27,;-11.38,-1.87,;-8.99,-1.02,;-7.46,-1.19,;-6.83,-2.59,;-1.37,-.76,;-.03,.01,;1.3,-.76,;2.63,.01,;3.97,-.76,;5.3,.01,;6.64,-.76,;8.04,-.13,;8.44,1.36,;9.07,-1.28,;10.61,-1.28,;11.38,-2.61,;10.61,-3.94,;9.07,-3.94,;8.3,-2.61,;6.8,-2.29,;5.46,-3.06,)| Show InChI InChI=1S/C35H37ClN2O6/c1-43-32-18-23(8-15-31(32)44-17-16-38-33(39)28-4-2-3-5-29(28)34(38)40)21-37(20-22-6-9-24(10-7-22)35(41)42)30-14-11-25-19-26(36)12-13-27(25)30/h2-5,8,12-13,15,18-19,22,24,30H,6-7,9-11,14,16-17,20-21H2,1H3,(H,41,42)/t22-,24-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 79 | 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)) | BDBM166468
(US9073853, 27)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H](C)c2ccc(Cl)c(C)c2)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,;-2.49,1.58,;-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-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 80 | 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)) | BDBM166481
(US9073853, 40)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1CCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(4,-4.85,;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/C33H42N2O6/c1-22(27-11-12-29-28(19-27)15-17-41-29)34(20-23-5-9-26(10-6-23)33(38)39)21-24-7-8-25(30(18-24)40-2)4-3-16-35-31(36)13-14-32(35)37/h7-8,11-12,18-19,22-23,26H,3-6,9-10,13-17,20-21H2,1-2H3,(H,38,39)/t22?,23-,26- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 81 | 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)) | BDBM166469
(US9073853, 28)Show SMILES CCC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)c1ccc2OCCc2c1 |r,wU:5.4,wD:8.11,(-6.1,-5.23,;-4.77,-4.46,;-4.77,-2.92,;-3.44,-2.15,;-3.44,-.61,;-2.35,.48,;-2.75,1.96,;-1.66,3.05,;-.17,2.66,;.23,1.17,;-.86,.08,;.92,3.74,;.52,5.23,;2.41,3.35,;-2.1,-2.92,;-.77,-2.15,;-.77,-.61,;.56,.16,;1.9,-.61,;3.23,.16,;4.56,-.61,;5.9,.16,;7.23,-.61,;7.23,-2.15,;5.9,-2.92,;8.7,-2.63,;9.6,-1.38,;11.14,-1.38,;8.7,-.14,;9.1,1.35,;1.9,-2.15,;3.23,-2.92,;4.56,-2.15,;.56,-2.92,;-6.1,-2.15,;-6.1,-.61,;-7.44,.16,;-8.77,-.61,;-10.24,-.14,;-11.14,-1.38,;-10.24,-2.63,;-8.77,-2.15,;-7.44,-2.92,)| Show InChI InChI=1S/C33H43N3O7/c1-4-27(25-10-12-28-26(18-25)13-15-42-28)35(19-22-5-8-24(9-6-22)32(38)39)20-23-7-11-29(30(17-23)41-3)43-16-14-36-31(37)21-34(2)33(36)40/h7,10-12,17-18,22,24,27H,4-6,8-9,13-16,19-21H2,1-3H3,(H,38,39)/t22-,24-,27? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 81 | 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)) | BDBM166554
(US9073853, 113)Show SMILES CCOC(=O)[C@H]1C[C@H]1CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(C)c1ccc2OCCc2c1 |r| Show InChI InChI=1S/C31H38N2O7/c1-4-38-31(36)25-17-24(25)19-32(20(2)22-6-8-26-23(16-22)11-13-39-26)18-21-5-7-27(28(15-21)37-3)40-14-12-33-29(34)9-10-30(33)35/h5-8,15-16,20,24-25H,4,9-14,17-19H2,1-3H3/t20?,24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 82 | 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)) | BDBM166534
(US9073853, 93)Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2CCc3c2ccc(F)c3Cl)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,;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,;-8.85,-5.01,;-.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/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(33)30(23)32/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? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 84 | 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)) | BDBM166527
(US9073853, 86)Show SMILES CCc1cc(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,;-8.85,-5.01,;-.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/C32H38Cl2N2O5/c1-2-22-17-21(5-12-28(22)41-16-15-36-29(37)13-14-30(36)38)19-35(18-20-3-6-23(7-4-20)32(39)40)27-11-9-25-24(27)8-10-26(33)31(25)34/h5,8,10,12,17,20,23,27H,2-4,6-7,9,11,13-16,18-19H2,1H3,(H,39,40)/t20-,23-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 85 | 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 | |
Search and Browse
