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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50016524   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208584
PNG
(US9266876, 51)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208712
PNG
(US9266876, 179)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N9OS/c1-17-15-36(12-13-38(17)21(39)16-37-7-3-6-30-37)24-22(33-25(40-24)26(27,28)29)23-31-19-5-4-18(14-20(19)32-23)35-10-8-34(2)9-11-35/h3-7,14,17H,8-13,15-16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208708
PNG
(US9266876, 175)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(Cl)cn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H19ClF3N7OS/c1-12-9-30(6-7-32(12)16(33)11-31-10-13(22)8-26-31)19-17(29-20(34-19)21(23,24)25)18-27-14-4-2-3-5-15(14)28-18/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,27,28)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208770
PNG
(US9266876, 237)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)C1CCN(C)CC1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N9OS/c1-16-14-38(11-12-39(16)23(41)15-40-18(3)32-17(2)36-40)26-24(35-27(42-26)28(29,30)31)25-33-21-6-5-20(13-22(21)34-25)19-7-9-37(4)10-8-19/h5-6,13,16,19H,7-12,14-15H2,1-4H3,(H,33,34)/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208697
PNG
(US9266876, 164)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(OCCO)ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N8O3S/c1-15-12-35(7-8-37(15)20(39)13-36-14-31-18-3-2-6-30-23(18)36)24-21(34-25(41-24)26(27,28)29)22-32-17-5-4-16(40-10-9-38)11-19(17)33-22/h2-6,11,14-15,38H,7-10,12-13H2,1H3,(H,32,33)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208773
PNG
(US9266876, 240)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)C1CCNCC1)C(F)(F)F
Show InChI InChI=1S/C27H32F3N9OS/c1-15-13-37(10-11-38(15)22(40)14-39-17(3)32-16(2)36-39)25-23(35-26(41-25)27(28,29)30)24-33-20-5-4-19(12-21(20)34-24)18-6-8-31-9-7-18/h4-5,12,15,18,31H,6-11,13-14H2,1-3H3,(H,33,34)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208769
PNG
(US9266876, 236)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)-c1noc(C)n1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N10O2S/c1-12-10-36(7-8-37(12)19(39)11-38-14(3)29-13(2)34-38)23-20(33-24(41-23)25(26,27)28)22-31-17-6-5-16(9-18(17)32-22)21-30-15(4)40-35-21/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,31,32)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208637
PNG
(US9266876, 104)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1c2ncccc2[nH]c1=O)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8O2S/c1-13-11-33(9-10-34(13)17(36)12-35-20-16(31-23(35)37)7-4-8-28-20)21-18(32-22(38-21)24(25,26)27)19-29-14-5-2-3-6-15(14)30-19/h2-8,13H,9-12H2,1H3,(H,29,30)(H,31,37)/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208744
PNG
(US9266876, 211)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(CN(C)C)c(C)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N8OS/c1-15-11-34(9-10-36(15)20(37)14-35-13-17(12-33(3)4)16(2)32-35)23-21(31-24(38-23)25(26,27)28)22-29-18-7-5-6-8-19(18)30-22/h5-8,13,15H,9-12,14H2,1-4H3,(H,29,30)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208680
PNG
(US9266876, 147)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(Cl)ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N8OS/c1-13-10-34(7-8-36(13)18(37)11-35-12-30-16-3-2-6-29-21(16)35)22-19(33-23(38-22)24(26,27)28)20-31-15-5-4-14(25)9-17(15)32-20/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,31,32)/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595534
PNG
(CHEMBL5179941)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2cccc(C)c2[nH]1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208763
PNG
(US9266876, 230)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2c(F)cccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N8OS/c1-11-9-32(7-8-33(11)16(35)10-34-13(3)27-12(2)31-34)20-18(30-21(36-20)22(24,25)26)19-28-15-6-4-5-14(23)17(15)29-19/h4-6,11H,7-10H2,1-3H3,(H,28,29)/t11-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595541
PNG
(CHEMBL5190291)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2cc(cc(F)c2[nH]1)N1CCOCC1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208711
PNG
(US9266876, 178)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N8OS/c1-12-10-31(8-9-32(12)17(34)11-33-14(3)26-13(2)30-33)20-18(29-21(35-20)22(23,24)25)19-27-15-6-4-5-7-16(15)28-19/h4-7,12H,8-11H2,1-3H3,(H,27,28)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208694
PNG
(US9266876, 161)
Show SMILES COc1cc2nc([nH]c2cc1OC)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F
Show InChI InChI=1S/C26H25F3N8O3S/c1-14-11-35(7-8-37(14)20(38)12-36-13-31-15-5-4-6-30-23(15)36)24-21(34-25(41-24)26(27,28)29)22-32-16-9-18(39-2)19(40-3)10-17(16)33-22/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,32,33)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208771
PNG
(US9266876, 238)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)C1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N8O2S/c1-15-13-36(8-9-37(15)22(39)14-38-17(3)31-16(2)35-38)25-23(34-26(41-25)27(28,29)30)24-32-20-5-4-19(12-21(20)33-24)18-6-10-40-11-7-18/h4-5,12,15,18H,6-11,13-14H2,1-3H3,(H,32,33)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208742
PNG
(US9266876, 209)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2CN(C)CCc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N8OS/c1-15-11-34(9-10-36(15)20(37)13-35-14-29-18-12-33(2)8-7-19(18)35)23-21(32-24(38-23)25(26,27)28)22-30-16-5-3-4-6-17(16)31-22/h3-6,14-15H,7-13H2,1-2H3,(H,30,31)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595540
PNG
(CHEMBL5200180)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(N3CCOCC3)c(F)c2[nH]1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595535
PNG
(CHEMBL5183995)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208775
PNG
(US9266876, 242)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(OC3CNC3)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N9O2S/c1-13-11-35(6-7-36(13)20(38)12-37-15(3)30-14(2)34-37)23-21(33-24(40-23)25(26,27)28)22-31-18-5-4-16(8-19(18)32-22)39-17-9-29-10-17/h4-5,8,13,17,29H,6-7,9-12H2,1-3H3,(H,31,32)/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595538
PNG
(CHEMBL5193975)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(O)c(F)c2[nH]1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208693
PNG
(US9266876, 160)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccc(CO)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N8O2S/c1-14-10-34(7-8-36(14)19(38)11-35-13-30-17-3-2-6-29-22(17)35)23-20(33-24(39-23)25(26,27)28)21-31-16-5-4-15(12-37)9-18(16)32-21/h2-6,9,13-14,37H,7-8,10-12H2,1H3,(H,31,32)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208766
PNG
(US9266876, 233)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N9O2S/c1-15-13-36(6-7-37(15)21(39)14-38-17(3)30-16(2)34-38)24-22(33-25(41-24)26(27,28)29)23-31-19-5-4-18(12-20(19)32-23)35-8-10-40-11-9-35/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,31,32)/t15-/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208767
PNG
(US9266876, 234)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)-n1cncn1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N11OS/c1-13-9-35(6-7-36(13)19(39)10-37-15(3)30-14(2)34-37)22-20(33-23(40-22)24(25,26)27)21-31-17-5-4-16(8-18(17)32-21)38-12-28-11-29-38/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,31,32)/t13-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208765
PNG
(US9266876, 232)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2c(cccc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N8OS/c1-11-9-35(7-8-36(11)16(38)10-37-13(3)30-12(2)34-37)20-18(33-21(39-20)23(27,28)29)19-31-15-6-4-5-14(17(15)32-19)22(24,25)26/h4-6,11H,7-10H2,1-3H3,(H,31,32)/t11-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208732
PNG
(US9266876, 199)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1ccc(C)nc1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N6OS/c1-14-7-8-16(12-28-14)11-19(34)33-10-9-32(13-15(33)2)22-20(31-23(35-22)24(25,26)27)21-29-17-5-3-4-6-18(17)30-21/h3-8,12,15H,9-11,13H2,1-2H3,(H,29,30)/t15-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595539
PNG
(CHEMBL5174313)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(c(F)c2[nH]1)C(C)(C)O)C(F)(F)F |r|
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n/an/a 9.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595537
PNG
(CHEMBL5193530)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)S(C)(=O)=O)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208706
PNG
(US9266876, 173)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7OS/c1-13-11-29(9-10-31(13)16(32)12-30-8-4-7-25-30)19-17(28-20(33-19)21(22,23)24)18-26-14-5-2-3-6-15(14)27-18/h2-8,13H,9-12H2,1H3,(H,26,27)/t13-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208755
PNG
(US9266876, 222)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(cn1)C1CCN(C)CC1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N8OS/c1-17-14-36(11-12-38(17)22(39)16-37-15-19(13-31-37)18-7-9-35(2)10-8-18)25-23(34-26(40-25)27(28,29)30)24-32-20-5-3-4-6-21(20)33-24/h3-6,13,15,17-18H,7-12,14,16H2,1-2H3,(H,32,33)/t17-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595532
PNG
(CHEMBL5192187)
Show SMILES C[C@@H]1CN(CCN1C(=O)CN1CCC(F)(F)CC1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208723
PNG
(US9266876, 190)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1cccc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N6OS/c1-16-15-35(12-13-36(16)21(37)14-18-7-4-6-17-8-5-11-31-22(17)18)25-23(34-26(38-25)27(28,29)30)24-32-19-9-2-3-10-20(19)33-24/h2-11,16H,12-15H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 23n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208728
PNG
(US9266876, 195)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1nnc(C)o1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O2S/c1-11-10-30(7-8-31(11)16(32)9-15-29-28-12(2)33-15)19-17(27-20(34-19)21(22,23)24)18-25-13-5-3-4-6-14(13)26-18/h3-6,11H,7-10H2,1-2H3,(H,25,26)/t11-/m1/s1
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n/an/a 31n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208680
PNG
(US9266876, 147)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(Cl)ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N8OS/c1-13-10-34(7-8-36(13)18(37)11-35-12-30-16-3-2-6-29-21(16)35)22-19(33-23(38-22)24(26,27)28)20-31-15-5-4-14(25)9-17(15)32-20/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,31,32)/t13-/m1/s1
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n/an/a 39n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595531
PNG
(CHEMBL5183078)
Show SMILES COC1CCN(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2nc3ccccc3[nH]2)C(F)(F)F)C1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595536
PNG
(CHEMBL5198121)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(OC3COC3)cc2[nH]1)C(F)(F)F |r|
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n/an/a 68n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208584
PNG
(US9266876, 51)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208770
PNG
(US9266876, 237)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)C1CCN(C)CC1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N9OS/c1-16-14-38(11-12-39(16)23(41)15-40-18(3)32-17(2)36-40)26-24(35-27(42-26)28(29,30)31)25-33-21-6-5-20(13-22(21)34-25)19-7-9-37(4)10-8-19/h5-6,13,16,19H,7-12,14-15H2,1-4H3,(H,33,34)/t16-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208693
PNG
(US9266876, 160)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccc(CO)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N8O2S/c1-14-10-34(7-8-36(14)19(38)11-35-13-30-17-3-2-6-29-22(17)35)23-20(33-24(39-23)25(26,27)28)21-31-16-5-4-15(12-37)9-18(16)32-21/h2-6,9,13-14,37H,7-8,10-12H2,1H3,(H,31,32)/t14-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208697
PNG
(US9266876, 164)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(OCCO)ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N8O3S/c1-15-12-35(7-8-37(15)20(39)13-36-14-31-18-3-2-6-30-23(18)36)24-21(34-25(41-24)26(27,28)29)22-32-17-5-4-16(40-10-9-38)11-19(17)33-22/h2-6,11,14-15,38H,7-10,12-13H2,1H3,(H,32,33)/t15-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208717
PNG
(US9266876, 184)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccccc2n1C)C(F)(F)F
Show InChI InChI=1S/C22H22F3N7OS/c1-14-12-30(10-11-32(14)17(33)13-31-9-5-8-26-31)20-18(28-21(34-20)22(23,24)25)19-27-15-6-3-4-7-16(15)29(19)2/h3-9,14H,10-13H2,1-2H3/t14-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208712
PNG
(US9266876, 179)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N9OS/c1-17-15-36(12-13-38(17)21(39)16-37-7-3-6-30-37)24-22(33-25(40-24)26(27,28)29)23-31-19-5-4-18(14-20(19)32-23)35-10-8-34(2)9-11-35/h3-7,14,17H,8-13,15-16H2,1-2H3,(H,31,32)/t17-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208771
PNG
(US9266876, 238)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)C1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N8O2S/c1-15-13-36(8-9-37(15)22(39)14-38-17(3)31-16(2)35-38)25-23(34-26(41-25)27(28,29)30)24-32-20-5-4-19(12-21(20)33-24)18-6-10-40-11-7-18/h4-5,12,15,18H,6-11,13-14H2,1-3H3,(H,32,33)/t15-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208742
PNG
(US9266876, 209)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2CN(C)CCc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N8OS/c1-15-11-34(9-10-36(15)20(37)13-35-14-29-18-12-33(2)8-7-19(18)35)23-21(32-24(38-23)25(26,27)28)22-30-16-5-3-4-6-17(16)31-22/h3-6,14-15H,7-13H2,1-2H3,(H,30,31)/t15-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208637
PNG
(US9266876, 104)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1c2ncccc2[nH]c1=O)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8O2S/c1-13-11-33(9-10-34(13)17(36)12-35-20-16(31-23(35)37)7-4-8-28-20)21-18(32-22(38-21)24(25,26)27)19-29-14-5-2-3-6-15(14)30-19/h2-8,13H,9-12H2,1H3,(H,29,30)(H,31,37)/t13-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208694
PNG
(US9266876, 161)
Show SMILES COc1cc2nc([nH]c2cc1OC)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F
Show InChI InChI=1S/C26H25F3N8O3S/c1-14-11-35(7-8-37(14)20(38)12-36-13-31-15-5-4-6-30-23(15)36)24-21(34-25(41-24)26(27,28)29)22-32-16-9-18(39-2)19(40-3)10-17(16)33-22/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,32,33)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 144n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208718
PNG
(US9266876, 185)
Show SMILES COCCn1c(nc2ccccc12)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cccn1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N7O2S/c1-16-14-31(10-11-33(16)19(35)15-32-9-5-8-28-32)22-20(30-23(37-22)24(25,26)27)21-29-17-6-3-4-7-18(17)34(21)12-13-36-2/h3-9,16H,10-15H2,1-2H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208706
PNG
(US9266876, 173)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7OS/c1-13-11-29(9-10-31(13)16(32)12-30-8-4-7-25-30)19-17(28-20(33-19)21(22,23)24)18-26-14-5-2-3-6-15(14)27-18/h2-8,13H,9-12H2,1H3,(H,26,27)/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 191n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50595540
PNG
(CHEMBL5200180)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(N3CCOCC3)c(F)c2[nH]1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208711
PNG
(US9266876, 178)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N8OS/c1-12-10-31(8-9-32(12)17(34)11-33-14(3)26-13(2)30-33)20-18(29-21(35-20)22(23,24)25)19-27-15-6-4-5-7-16(15)28-19/h4-7,12H,8-11H2,1-3H3,(H,27,28)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 237n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
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