Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50043813 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)) | BDBM50337251
((S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)pipe...)Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3F)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C26H34Cl2FN5O/c1-3-21-17-33(25-23(28)13-19(15-31-25)26(35)30-4-2)11-12-34(21)22-7-9-32(10-8-22)16-18-5-6-20(27)14-24(18)29/h5-6,13-15,21-22H,3-4,7-12,16-17H2,1-2H3,(H,30,35)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446659
(CHEMBL3116468)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1ncc[nH]1 |r| Show InChI InChI=1S/C26H31Cl2FN6/c1-2-21-17-34(26-23(28)13-19(15-32-26)25-30-7-8-31-25)11-12-35(21)22-5-9-33(10-6-22)16-18-3-4-20(27)14-24(18)29/h3-4,7-8,13-15,21-22H,2,5-6,9-12,16-17H2,1H3,(H,30,31)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446651
(CHEMBL3116476)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)-c1nnc(C)o1 |r| Show InChI InChI=1S/C25H32Cl2N8O/c1-3-19-15-34(24-22(27)29-21(23(28)30-24)25-32-31-16(2)36-25)12-13-35(19)20-8-10-33(11-9-20)14-17-4-6-18(26)7-5-17/h4-7,19-20H,3,8-15H2,1-2H3,(H2,28,30)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446640
(CHEMBL3116487)Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(Cl)n1 |r| Show InChI InChI=1S/C25H32Cl2N10O2/c1-3-15-14-36(22-20(27)31-18(13-30-22)23-33-34-25(39-23)29-4-2)11-12-37(15)16-7-9-35(10-8-16)24(38)17-5-6-19(26)32-21(17)28/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,28,32)(H,29,34)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50358609
(CHEMBL1921858)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(N)=O |r| Show InChI InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446641
(CHEMBL3116486)Show SMILES CCNc1nnc(o1)-c1nc(Cl)c(nc1N)N1CCN([C@@H](CC)C1)C1CCN(CC1)C(=O)c1ccc(Cl)nc1N |r| Show InChI InChI=1S/C25H33Cl2N11O2/c1-3-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(40-23)30-4-2)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)31-20(16)28/h5-6,14-15H,3-4,7-13H2,1-2H3,(H2,28,31)(H2,29,33)(H,30,35)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446631
(CHEMBL3116496)Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(C)n1 |r| Show InChI InChI=1S/C27H35ClN8O2/c1-4-21-17-35(24-18(3)31-23(16-30-24)25-32-33-27(38-25)29-5-2)14-15-36(21)22-10-12-34(13-11-22)26(37)19-6-8-20(28)9-7-19/h6-9,16,21-22H,4-5,10-15,17H2,1-3H3,(H,29,33)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446639
(CHEMBL3116488)Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(C)n1 |r| Show InChI InChI=1S/C26H35ClN10O2/c1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446646
(CHEMBL3116481)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(N)o1 |r| Show InChI InChI=1S/C23H29Cl2N11O2/c1-2-12-11-35(20-17(25)30-16(19(27)31-20)21-32-33-23(28)38-21)9-10-36(12)13-5-7-34(8-6-13)22(37)14-3-4-15(24)29-18(14)26/h3-4,12-13H,2,5-11H2,1H3,(H2,26,29)(H2,27,31)(H2,28,33)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446658
(CHEMBL3116469)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)C1=NCCN1 |r,t:34| Show InChI InChI=1S/C26H33Cl2FN6/c1-2-21-17-34(26-23(28)13-19(15-32-26)25-30-7-8-31-25)11-12-35(21)22-5-9-33(10-6-22)16-18-3-4-20(27)14-24(18)29/h3-4,13-15,21-22H,2,5-12,16-17H2,1H3,(H,30,31)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446653
(CHEMBL3116474)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1nnco1 |r| Show InChI InChI=1S/C25H29Cl2FN6O/c1-2-20-15-33(24-22(27)11-18(13-29-24)25-31-30-16-35-25)9-10-34(20)21-5-7-32(8-6-21)14-17-3-4-19(26)12-23(17)28/h3-4,11-13,16,20-21H,2,5-10,14-15H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446638
(CHEMBL3116489)Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H32ClF3N10O2/c1-3-15-14-39(22-20(26(28,29)30)34-18(13-33-22)23-36-37-25(42-23)32-4-2)11-12-40(15)16-7-9-38(10-8-16)24(41)17-5-6-19(27)35-21(17)31/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,31,35)(H,32,37)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446626
(CHEMBL3116501)Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)-c1ncc[nH]1 |r| Show InChI InChI=1S/C27H34ClN7O/c1-4-22-17-34(26-19(3)32-24(15-31-26)25-29-11-12-30-25)18(2)16-35(22)23-9-13-33(14-10-23)27(36)20-5-7-21(28)8-6-20/h5-8,11-12,15,18,22-23H,4,9-10,13-14,16-17H2,1-3H3,(H,29,30)/t18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446642
(CHEMBL3116485)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(NC)o1 |r| Show InChI InChI=1S/C24H31Cl2N11O2/c1-3-13-12-36(21-18(26)31-17(20(28)32-21)22-33-34-24(29-2)39-22)10-11-37(13)14-6-8-35(9-7-14)23(38)15-4-5-16(25)30-19(15)27/h4-5,13-14H,3,6-12H2,1-2H3,(H2,27,30)(H2,28,32)(H,29,34)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446632
(CHEMBL3116495)Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)-c1ncc[nH]1 |r| Show InChI InChI=1S/C26H34ClN9O/c1-4-18-15-35(25-17(3)32-21(13-31-25)24-29-9-10-30-24)16(2)14-36(18)19-7-11-34(12-8-19)26(37)20-5-6-22(27)33-23(20)28/h5-6,9-10,13,16,18-19H,4,7-8,11-12,14-15H2,1-3H3,(H2,28,33)(H,29,30)/t16-,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446629
(CHEMBL3116498)Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C28H34ClF3N8O2/c1-4-20-16-39(24-23(28(30,31)32)35-22(14-34-24)25-36-37-27(42-25)33-5-2)17(3)15-40(20)21-10-12-38(13-11-21)26(41)18-6-8-19(29)9-7-18/h6-9,14,17,20-21H,4-5,10-13,15-16H2,1-3H3,(H,33,37)/t17-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446649
(CHEMBL3116478)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(C)o1 |r| Show InChI InChI=1S/C24H30Cl2N10O2/c1-3-14-12-35(22-19(26)30-18(21(28)31-22)23-33-32-13(2)38-23)10-11-36(14)15-6-8-34(9-7-15)24(37)16-4-5-17(25)29-20(16)27/h4-5,14-15H,3,6-12H2,1-2H3,(H2,27,29)(H2,28,31)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446647
(CHEMBL3116480)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(CO)o1 |r| Show InChI InChI=1S/C24H30Cl2N10O3/c1-2-13-11-35(22-19(26)30-18(21(28)31-22)23-33-32-17(12-37)39-23)9-10-36(13)14-5-7-34(8-6-14)24(38)15-3-4-16(25)29-20(15)27/h3-4,13-14,37H,2,5-12H2,1H3,(H2,27,29)(H2,28,31)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446630
(CHEMBL3116497)Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(C)n1 |r| Show InChI InChI=1S/C28H37ClN8O2/c1-5-22-17-36(25-19(4)32-24(15-31-25)26-33-34-28(39-26)30-6-2)18(3)16-37(22)23-11-13-35(14-12-23)27(38)20-7-9-21(29)10-8-20/h7-10,15,18,22-23H,5-6,11-14,16-17H2,1-4H3,(H,30,34)/t18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446634
(CHEMBL3116493)Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(C)n1 |r| Show InChI InChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(13-31-24)25-34-35-27(40-25)30-6-2)16(3)14-38(18)19-9-11-36(12-10-19)26(39)20-7-8-22(28)33-23(20)29/h7-8,13,16,18-19H,5-6,9-12,14-15H2,1-4H3,(H2,29,33)(H,30,35)/t16-,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446633
(CHEMBL3116494)Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C27H34ClF3N10O2/c1-4-16-14-40(23-21(27(29,30)31)35-19(12-34-23)24-37-38-26(43-24)33-5-2)15(3)13-41(16)17-8-10-39(11-9-17)25(42)18-6-7-20(28)36-22(18)32/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3,(H2,32,36)(H,33,38)/t15-,16+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446637
(CHEMBL3116490)Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(CC)n1 |r| Show InChI InChI=1S/C27H37ClN10O2/c1-4-17-16-37(24-20(5-2)32-21(15-31-24)25-34-35-27(40-25)30-6-3)13-14-38(17)18-9-11-36(12-10-18)26(39)19-7-8-22(28)33-23(19)29/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H2,29,33)(H,30,35)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446643
(CHEMBL3116484)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(NCCO)o1 |r| Show InChI InChI=1S/C25H33Cl2N11O3/c1-2-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(41-23)30-7-12-39)10-11-38(14)15-5-8-36(9-6-15)24(40)16-3-4-17(26)31-20(16)28/h3-4,14-15,39H,2,5-13H2,1H3,(H2,28,31)(H2,29,33)(H,30,35)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446650
(CHEMBL3116477)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1nc(N)c(nc1Cl)-c1nnc(C)o1 |r| Show InChI InChI=1S/C25H30Cl2N8O2/c1-3-18-14-34(23-21(27)29-20(22(28)30-23)24-32-31-15(2)37-24)12-13-35(18)19-8-10-33(11-9-19)25(36)16-4-6-17(26)7-5-16/h4-7,18-19H,3,8-14H2,1-2H3,(H2,28,30)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446652
(CHEMBL3116475)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)-c1nnco1 |r| Show InChI InChI=1S/C24H30Cl2N8O/c1-2-18-14-33(23-21(26)29-20(22(27)30-23)24-31-28-15-35-24)11-12-34(18)19-7-9-32(10-8-19)13-16-3-5-17(25)6-4-16/h3-6,15,18-19H,2,7-14H2,1H3,(H2,27,30)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446648
(CHEMBL3116479)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(o1)C1CC1 |r| Show InChI InChI=1S/C26H32Cl2N10O2/c1-2-15-13-37(23-20(28)32-19(22(30)33-23)25-35-34-24(40-25)14-3-4-14)11-12-38(15)16-7-9-36(10-8-16)26(39)17-5-6-18(27)31-21(17)29/h5-6,14-16H,2-4,7-13H2,1H3,(H2,29,31)(H2,30,33)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446628
(CHEMBL3116499)Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)-c1nnc(NC)o1 |r| Show InChI InChI=1S/C27H35ClN8O2/c1-5-21-16-35(24-18(3)31-23(14-30-24)25-32-33-27(29-4)38-25)17(2)15-36(21)22-10-12-34(13-11-22)26(37)19-6-8-20(28)9-7-19/h6-9,14,17,21-22H,5,10-13,15-16H2,1-4H3,(H,29,33)/t17-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446627
(CHEMBL3116500)Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)-c1nnc(N)o1 |r| Show InChI InChI=1S/C26H33ClN8O2/c1-4-20-15-34(23-17(3)30-22(13-29-23)24-31-32-26(28)37-24)16(2)14-35(20)21-9-11-33(12-10-21)25(36)18-5-7-19(27)8-6-18/h5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,28,32)/t16-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446657
(CHEMBL3116470)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1nnc[nH]1 |r| Show InChI InChI=1S/C25H30Cl2FN7/c1-2-20-15-34(25-22(27)11-18(13-29-25)24-30-16-31-32-24)9-10-35(20)21-5-7-33(8-6-21)14-17-3-4-19(26)12-23(17)28/h3-4,11-13,16,20-21H,2,5-10,14-15H2,1H3,(H,30,31,32)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446644
(CHEMBL3116483)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(o1)N(C)C |r| Show InChI InChI=1S/C25H33Cl2N11O2/c1-4-14-13-37(22-19(27)31-18(21(29)32-22)23-33-34-25(40-23)35(2)3)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)30-20(16)28/h5-6,14-15H,4,7-13H2,1-3H3,(H2,28,30)(H2,29,32)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446636
(CHEMBL3116491)Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C1CC1 |r| Show InChI InChI=1S/C28H37ClN10O2/c1-3-18-16-38(25-23(17-5-6-17)33-21(15-32-25)26-35-36-28(41-26)31-4-2)13-14-39(18)19-9-11-37(12-10-19)27(40)20-7-8-22(29)34-24(20)30/h7-8,15,17-19H,3-6,9-14,16H2,1-2H3,(H2,30,34)(H,31,36)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446625
(CHEMBL3116502)Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)-c1nnc[nH]1 |r| Show InChI InChI=1S/C26H33ClN8O/c1-4-21-15-34(25-18(3)31-23(13-28-25)24-29-16-30-32-24)17(2)14-35(21)22-9-11-33(12-10-22)26(36)19-5-7-20(27)8-6-19/h5-8,13,16-17,21-22H,4,9-12,14-15H2,1-3H3,(H,29,30,32)/t17-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446660
(CHEMBL3116467)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)C#N |r| Show InChI InChI=1S/C24H28Cl2FN5/c1-2-20-16-31(24-22(26)11-17(13-28)14-29-24)9-10-32(20)21-5-7-30(8-6-21)15-18-3-4-19(25)12-23(18)27/h3-4,11-12,14,20-21H,2,5-10,15-16H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446654
(CHEMBL3116473)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1ncon1 |r| Show InChI InChI=1S/C25H29Cl2FN6O/c1-2-20-15-33(25-22(27)11-18(13-29-25)24-30-16-35-31-24)9-10-34(20)21-5-7-32(8-6-21)14-17-3-4-19(26)12-23(17)28/h3-4,11-13,16,20-21H,2,5-10,14-15H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446635
(CHEMBL3116492)Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(C)C |r| Show InChI InChI=1S/C28H39ClN10O2/c1-5-18-16-38(25-23(17(3)4)33-21(15-32-25)26-35-36-28(41-26)31-6-2)13-14-39(18)19-9-11-37(12-10-19)27(40)20-7-8-22(29)34-24(20)30/h7-8,15,17-19H,5-6,9-14,16H2,1-4H3,(H2,30,34)(H,31,36)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 437 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446655
(CHEMBL3116472)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1nc(=O)o[nH]1 |r| Show InChI InChI=1S/C25H29Cl2FN6O2/c1-2-19-15-33(24-21(27)11-17(13-29-24)23-30-25(35)36-31-23)9-10-34(19)20-5-7-32(8-6-20)14-16-3-4-18(26)12-22(16)28/h3-4,11-13,19-20H,2,5-10,14-15H2,1H3,(H,30,31,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446656
(CHEMBL3116471)Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1nnn[nH]1 |r| Show InChI InChI=1S/C24H29Cl2FN8/c1-2-19-15-34(24-21(26)11-17(13-28-24)23-29-31-32-30-23)9-10-35(19)20-5-7-33(8-6-20)14-16-3-4-18(25)12-22(16)27/h3-4,11-13,19-20H,2,5-10,14-15H2,1H3,(H,29,30,31,32)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50446645
(CHEMBL3116482)Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(NS(C)(=O)=O)o1 |r| Show InChI InChI=1S/C24H31Cl2N11O4S/c1-3-13-12-36(21-18(26)30-17(20(28)31-21)22-32-33-24(41-22)34-42(2,39)40)10-11-37(13)14-6-8-35(9-7-14)23(38)15-4-5-16(25)29-19(15)27/h4-5,13-14H,3,6-12H2,1-2H3,(H2,27,29)(H2,28,31)(H,33,34)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CXCR3 receptor |
Bioorg Med Chem Lett 24: 1085-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ |
More data for this
Ligand-Target Pair | |
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