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Compile Data Set for Download or QSAR

Found 283 hits with Last Name = 'strasser' and Initial = 'd'   
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


(Mus musculus)
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
C-X-C chemokine receptor type 3


(Rattus norvegicus)
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613175
PNG
(CHEMBL5269745)
PDB
MMDB

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Ligand-Target Pair
C-X-C chemokine receptor type 3


(Canis familiaris)
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610444
PNG
(2-(3-Ethyl-pyrazol-1-yl)-1-{(R)-2-(2-hydroxy-ethyl...)
Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613174
PNG
(CHEMBL5284001)
PDB
MMDB

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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Canis familiaris)
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Mus musculus)
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610443
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613180
PNG
(CHEMBL5287805)
PDB
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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610438
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C |r|
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
PDB

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n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613172
PNG
(CHEMBL5274429)
PDB
MMDB

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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610435
PNG
(2-(3-Cyclopropyl-[1,2,4]triazol-1-yl)-1-{(R)-2-(2-...)
Show SMILES OCC[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
PDB
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613173
PNG
(CHEMBL5277205)
PDB
MMDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610448
PNG
(2-(3-Ethyl-pyrazol-1-yl)-1-{(S)-2-hydroxymethyl-4-...)
Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613165
PNG
(CHEMBL5290851)
PDB
MMDB

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n/an/a 8.70n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610436
PNG
(2-(3-Ethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-(2-hydrox...)
Show SMILES CCc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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n/an/a 9.80n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Mus musculus)
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613169
PNG
(CHEMBL5276329)
PDB
MMDB

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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613166
PNG
(CHEMBL5290634)
PDB
MMDB

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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613187
PNG
(CHEMBL5271152)
PDB
MMDB

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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613170
PNG
(CHEMBL5268766)
PDB
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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610446
PNG
(1-{(S)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...)
Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613168
PNG
(CHEMBL5273485)
PDB
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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610415
PNG
(1-{(R)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...)
Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613167
PNG
(CHEMBL5274784)
PDB
MMDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613177
PNG
(CHEMBL5276903)
PDB
MMDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613186
PNG
(CHEMBL5269005)
PDB
MMDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610426
PNG
(1-{(R)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...)
Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610444
PNG
(2-(3-Ethyl-pyrazol-1-yl)-1-{(R)-2-(2-hydroxy-ethyl...)
Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB
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n/an/a 26n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613185
PNG
(CHEMBL5281798)
PDB
MMDB

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n/an/a 27n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610138
PNG
(1-{(S)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...)
Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
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n/an/a 29n/an/an/an/an/an/a


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Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610443
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
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n/an/a 30n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM610068
PNG
(2-(3-Cyclopropyl-[1,2,4]triazol-1-yl)-1-{(S)-2-hyd...)
Show SMILES OC[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
PDB
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n/an/a 31n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610448
PNG
(2-(3-Ethyl-pyrazol-1-yl)-1-{(S)-2-hydroxymethyl-4-...)
Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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n/an/a 34n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610436
PNG
(2-(3-Ethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-(2-hydrox...)
Show SMILES CCc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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n/an/a 45n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613182
PNG
(CHEMBL5272456)
PDB
MMDB

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n/an/a 52n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610446
PNG
(1-{(S)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...)
Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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antibodypedia
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n/an/a 53n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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PC sid
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n/an/a 56n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50613180
PNG
(CHEMBL5287805)
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 56n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610439
PNG
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)
Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
PDB

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PC sid
UniChem
n/an/a 56n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM610435
PNG
(2-(3-Cyclopropyl-[1,2,4]triazol-1-yl)-1-{(R)-2-(2-...)
Show SMILES OCC[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
PDB

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n/an/a 59n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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