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Compile Data Set for Download or QSAR

Found 47 hits of ki for UniProtKB: P48061   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369245
PNG
(CHEMBL4170392)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(cc2)C(C)C)ccc1O
Show InChI InChI=1S/C19H20O3/c1-13(2)15-6-8-16(9-7-15)17(20)10-4-14-5-11-18(21)19(12-14)22-3/h4-13,21H,1-3H3/b10-4+
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25n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369246
PNG
(CHEMBL4160309)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Br)cc2)ccc1O
Show InChI InChI=1S/C16H13BrO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
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44n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369285
PNG
(CHEMBL4160346)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2Cl)ccc1O
Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-5-4-11(17)9-13(12)18/h2-9,20H,1H3/b6-2+
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48n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369286
PNG
(CHEMBL4167574)
Show SMILES COc1cc(\C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1O
Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-9-11(17)4-5-13(12)18/h2-9,20H,1H3/b6-2+
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53n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50042947
PNG
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
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53n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369256
PNG
(CHEMBL4175451)
Show SMILES COc1cc(\C=C\C(=O)c2c(Cl)cccc2Cl)ccc1O
Show InChI InChI=1S/C16H12Cl2O3/c1-21-15-9-10(5-7-13(15)19)6-8-14(20)16-11(17)3-2-4-12(16)18/h2-9,19H,1H3/b8-6+
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71n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369248
PNG
(CHEMBL4163005)
Show SMILES COc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O
Show InChI InChI=1S/C17H13ClO3/c1-21-16-7-10(2-5-15(16)19)6-12-8-11-9-13(18)3-4-14(11)17(12)20/h2-7,9,19H,8H2,1H3/b12-6+
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107n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369244
PNG
(CHEMBL4169628)
Show SMILES COc1cc(ccc1O)C1CC(=NN1)c1ccc(Cl)cc1 |c:12|
Show InChI InChI=1S/C16H15ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-8,14,19-20H,9H2,1H3
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107n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369321
PNG
(CHEMBL4168220)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(I)cc2)ccc1O
Show InChI InChI=1S/C16H13IO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
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107n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369280
PNG
(CHEMBL4166275)
Show SMILES COc1cc(\C=C\C(=O)c2ccccc2Cl)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(7-9-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-10,19H,1H3/b8-6+
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107n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369250
PNG
(CHEMBL4168923)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2F)ccc1O
Show InChI InChI=1S/C16H12ClFO3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-5-4-11(17)9-13(12)18/h2-9,20H,1H3/b6-2+
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107n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369330
PNG
(CHEMBL4160583)
Show SMILES COc1cc(\C=C2/Oc3cc(Cl)ccc3C2=O)ccc1O
Show InChI InChI=1S/C16H11ClO4/c1-20-14-6-9(2-5-12(14)18)7-15-16(19)11-4-3-10(17)8-13(11)21-15/h2-8,18H,1H3/b15-7-
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203n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369279
PNG
(CHEMBL4166454)
Show SMILES COc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)
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267n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369249
PNG
(CHEMBL4173832)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C17H16O3/c1-12-3-7-14(8-4-12)15(18)9-5-13-6-10-16(19)17(11-13)20-2/h3-11,19H,1-2H3/b9-5+
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285n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50042973
PNG
(1-(4-Chloro-phenyl)-3-(3,4-dihydroxy-phenyl)-prope...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C15H11ClO3/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H/b7-1+
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350n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369278
PNG
(CHEMBL4162605)
Show SMILES COc1cc(\C=C2/COc3cc(Cl)ccc3C2=O)ccc1O
Show InChI InChI=1S/C17H13ClO4/c1-21-16-7-10(2-5-14(16)19)6-11-9-22-15-8-12(18)3-4-13(15)17(11)20/h2-8,19H,9H2,1H3/b11-6+
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357n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369292
PNG
(CHEMBL4175213)
Show SMILES Cl.NCCOc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C17H16ClNO3/c18-14-5-3-13(4-6-14)15(20)7-1-12-2-8-16(21)17(11-12)22-10-9-19/h1-8,11,21H,9-10,19H2/b7-1+
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357n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369322
PNG
(CHEMBL4170951)
Show SMILES COc1cc(\C=C\C(=O)c2cccc(Cl)c2Cl)ccc1O
Show InChI InChI=1S/C16H12Cl2O3/c1-21-15-9-10(6-8-14(15)20)5-7-13(19)11-3-2-4-12(17)16(11)18/h2-9,20H,1H3/b7-5+
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357n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369282
PNG
(CHEMBL4169688)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C16H13FO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
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430n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369294
PNG
(CHEMBL4159394)
Show SMILES Cl.NCCOCCOCCOc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C21H24ClNO5/c22-18-5-3-17(4-6-18)19(24)7-1-16-2-8-20(25)21(15-16)28-14-13-27-12-11-26-10-9-23/h1-8,15,25H,9-14,23H2/b7-1+
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475n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369320
PNG
(CHEMBL4175047)
Show SMILES Cl.NCCOCCOc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O
Show InChI InChI=1S/C20H20ClNO4/c21-16-2-3-17-14(12-16)11-15(20(17)24)9-13-1-4-18(23)19(10-13)26-8-7-25-6-5-22/h1-4,9-10,12,23H,5-8,11,22H2/b15-9+
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496n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369291
PNG
(CHEMBL226710)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H/b10-3+
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625n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369247
PNG
(CHEMBL4164132)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)ccc1O
Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)11-4-5-12(17)13(18)9-11/h2-9,20H,1H3/b6-2+
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714n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369283
PNG
(CHEMBL243400)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(cc2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C17H13F3O3/c1-23-16-10-11(3-9-15(16)22)2-8-14(21)12-4-6-13(7-5-12)17(18,19)20/h2-10,22H,1H3/b8-2+
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1.07E+3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369341
PNG
(CHEMBL4167307)
Show SMILES Cl.NCCOCCOc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C19H20ClNO4/c20-16-5-3-15(4-6-16)17(22)7-1-14-2-8-18(23)19(13-14)25-12-11-24-10-9-21/h1-8,13,23H,9-12,21H2/b7-1+
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1.07E+3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369289
PNG
(CHEMBL4159676)
Show SMILES Clc1ccc(cc1)C(=O)\C=C\c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H13ClO3/c18-14-5-3-13(4-6-14)15(19)7-1-12-2-8-16-17(11-12)21-10-9-20-16/h1-8,11H,9-10H2/b7-1+
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1.38E+3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369329
PNG
(CHEMBL4163644)
Show SMILES COc1cc(ccc1O)-c1cc(nc(C)n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN2O2/c1-11-20-15(12-3-6-14(19)7-4-12)10-16(21-11)13-5-8-17(22)18(9-13)23-2/h3-10,22H,1-2H3
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1.68E+3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50042992
PNG
(3-(4-Hydroxy-3-methoxy-phenyl)-1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H16O4/c1-20-14-7-5-13(6-8-14)15(18)9-3-12-4-10-16(19)17(11-12)21-2/h3-11,19H,1-2H3/b9-3+
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1.78E+3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369313
PNG
(CHEMBL4174118)
Show SMILES COc1cc(\C=C(/C)C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C17H15ClO3/c1-11(17(20)13-4-6-14(18)7-5-13)9-12-3-8-15(19)16(10-12)21-2/h3-10,19H,1-2H3/b11-9+
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>5.00E+3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369284
PNG
(CHEMBL4177186)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(cc2)C(O)=O)ccc1O
Show InChI InChI=1S/C17H14O5/c1-22-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(7-5-12)17(20)21/h2-10,19H,1H3,(H,20,21)/b8-2+
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5.35E+3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50277165
PNG
(CHEMBL4169514)
Show SMILES COc1cc(\C=C\C(=O)c2cccnc2)ccc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-9-11(5-7-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369328
PNG
(CHEMBL376598)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H13ClO2/c1-19-15-4-2-3-12(11-15)5-10-16(18)13-6-8-14(17)9-7-13/h2-11H,1H3/b10-5+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369340
PNG
(CHEMBL4170694)
Show SMILES COc1cc(ccc1O)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-12(5-9-15(16)19)14(18)8-4-11-2-6-13(17)7-3-11/h2-10,19H,1H3/b8-4+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369319
PNG
(CHEMBL4174364)
Show SMILES COc1cc(ccc1O)-c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-9,20H,1H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369318
PNG
(CHEMBL4174763)
Show SMILES COc1cc(ccc1O)-c1cc(nc(N)n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O2/c1-23-16-8-11(4-7-15(16)22)14-9-13(20-17(19)21-14)10-2-5-12(18)6-3-10/h2-9,22H,1H3,(H2,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369317
PNG
(CHEMBL4162350)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1 |c:12|
Show InChI InChI=1S/C18H17ClN2O3/c1-11(22)21-16(13-5-8-17(23)18(9-13)24-2)10-15(20-21)12-3-6-14(19)7-4-12/h3-9,16,23H,10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369316
PNG
(CHEMBL4166202)
Show SMILES COc1cc(CCC(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H15ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h3-7,9-10,19H,2,8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369290
PNG
(CHEMBL4173759)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1[N+]([O-])=O
Show InChI InChI=1S/C16H12ClNO4/c1-22-16-10-11(2-8-14(16)18(20)21)3-9-15(19)12-4-6-13(17)7-5-12/h2-10H,1H3/b9-3+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369288
PNG
(CHEMBL227926)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-9-3-11(10-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369287
PNG
(CHEMBL4160730)
Show SMILES COc1cc(\C=C\C(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-10-11(3-5-14(15)18)2-4-13(17)12-6-8-16-9-7-12/h2-10,18H,1H3/b4-2+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369243
PNG
(CHEMBL4173930)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1N
Show InChI InChI=1S/C16H14ClNO2/c1-20-16-10-11(2-8-14(16)18)3-9-15(19)12-4-6-13(17)7-5-12/h2-10H,18H2,1H3/b9-3+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50440647
PNG
(CHEMBL465025)
Show SMILES COc1cc(\C=C\C(=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C16H14O3/c1-19-16-11-12(8-10-15(16)18)7-9-14(17)13-5-3-2-4-6-13/h2-11,18H,1H3/b9-7+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369277
PNG
(CHEMBL4164112)
Show SMILES CNc1nc(cc(n1)-c1ccc(O)c(OC)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-18-21-14(11-3-6-13(19)7-4-11)10-15(22-18)12-5-8-16(23)17(9-12)24-2/h3-10,23H,1-2H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369276
PNG
(CHEMBL4177375)
Show SMILES COc1cc(\C=C\C(=N\O)\c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H14ClNO3/c1-21-16-10-11(3-9-15(16)19)2-8-14(18-20)12-4-6-13(17)7-5-12/h2-10,19-20H,1H3/b8-2+,18-14-
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369275
PNG
(CHEMBL4162758)
Show SMILES COc1cc(ccc1O)C(\C)=C\C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClO3/c1-11(13-5-8-15(19)17(10-13)21-2)9-16(20)12-3-6-14(18)7-4-12/h3-10,19H,1-2H3/b11-9+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369262
PNG
(CHEMBL224637)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C17H15ClO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,1-2H3/b9-3+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50398638
PNG
(CHEMBL2178112)
Show SMILES OC(=O)c1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H11ClO4/c17-12-5-3-11(4-6-12)14(18)7-1-10-2-8-15(19)13(9-10)16(20)21/h1-9,19H,(H,20,21)/b7-1+
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...


J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair