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Compile Data Set for Download or QSAR

Found 290 hits with Last Name = 'clerin' and Initial = 'v'   
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3
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7.94n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

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<13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by membrane-competitive-binding assay


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from mouse CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264271
PNG
(CHEMBL4086432)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5S/c1-18-8-12-28-13-9-24-22(28)21(18)27-11-5-10-26(14-15-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264271
PNG
(CHEMBL4086432)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5S/c1-18-8-12-28-13-9-24-22(28)21(18)27-11-5-10-26(14-15-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2
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40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2
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42n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264304
PNG
(CHEMBL4105264)
Show SMILES COc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5OS/c1-29-20-8-12-28-13-9-24-22(28)21(20)27-11-5-10-26(14-15-27)16-19-17-30-23(25-19)18-6-3-2-4-7-18/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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51n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from mouse CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264304
PNG
(CHEMBL4105264)
Show SMILES COc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5OS/c1-29-20-8-12-28-13-9-24-22(28)21(20)27-11-5-10-26(14-15-27)16-19-17-30-23(25-19)18-6-3-2-4-7-18/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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52n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341385
PNG
(CHEMBL4161567)
Show SMILES Cc1[nH]c2c(N3CCC4(CCNC4=O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C18H17ClF3N5O/c1-9-11(19)12-13(25-9)14(10(8-23)15(26-12)18(20,21)22)27-6-3-17(4-7-27)2-5-24-16(17)28/h25H,2-7H2,1H3,(H,24,28)
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82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327358
PNG
(CHEMBL4168403)
Show SMILES Cc1[nH]c2c(N3CCC(N)(CC3)C(N)=O)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C16H16ClF3N6O/c1-7-9(17)10-11(24-7)12(8(6-21)13(25-10)16(18,19)20)26-4-2-15(23,3-5-26)14(22)27/h24H,2-5,23H2,1H3,(H2,22,27)
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327363
PNG
(CHEMBL4176684)
Show SMILES Cc1[nH]c2c(N3CCC(O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H27N3O/c1-20-9-7-10-21(19-20)13-14-24-25(27-23-12-4-3-11-22(23)26-24)29-18-8-17-28-15-5-2-6-16-28/h3-4,7,9-12,19H,2,5-6,8,15-18H2,1H3
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440n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1
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501n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1
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520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327360
PNG
(CHEMBL4168827)
Show SMILES CN1CCC2(CCN(CC2)c2c(C#N)c(nc3c(Cl)c(C)[nH]c23)C(F)(F)F)C1=O
Show InChI InChI=1S/C27H36N6O2/c1-27(2,3)19-8-10-20(11-9-19)29-26(34)30-21-12-13-22-23(18-21)31-24(25(32-22)35-4)28-14-17-33-15-6-5-7-16-33/h8-13,18H,5-7,14-17H2,1-4H3,(H,28,31)(H2,29,30,34)
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530n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327362
PNG
(CHEMBL4159390)
Show SMILES OCC(O)CSCc1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(=O)N\N=C\c1cccc(F)c1
Show InChI InChI=1S/C23H23N3O/c1-18-8-10-19(11-9-18)12-13-22-23(27-17-16-26-14-4-5-15-26)25-21-7-3-2-6-20(21)24-22/h2-3,6-11H,4-5,14-17H2,1H3
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690n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264275
PNG
(CHEMBL4095095)
Show SMILES CC(C)c1cc2cccnc2c(n1)N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H29N5S/c1-19(2)23-16-21-10-6-11-27-24(21)25(29-23)31-13-7-12-30(14-15-31)17-22-18-32-26(28-22)20-8-4-3-5-9-20/h3-6,8-11,16,18-19H,7,12-15,17H2,1-2H3
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730n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341383
PNG
(CHEMBL4175607)
Show SMILES Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1
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750n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264300
PNG
(CHEMBL4067018)
Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m1/s1
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760n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264272
PNG
(CHEMBL4064969)
Show SMILES FC(F)(F)c1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H22F3N5S/c24-23(25,26)19-7-11-31-12-8-27-21(31)20(19)30-10-4-9-29(13-14-30)15-18-16-32-22(28-18)17-5-2-1-3-6-17/h1-3,5-8,11-12,16H,4,9-10,13-15H2
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760n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264300
PNG
(CHEMBL4067018)
Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m1/s1
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794n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264272
PNG
(CHEMBL4064969)
Show SMILES FC(F)(F)c1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H22F3N5S/c24-23(25,26)19-7-11-31-12-8-27-21(31)20(19)30-10-4-9-29(13-14-30)15-18-16-32-22(28-18)17-5-2-1-3-6-17/h1-3,5-8,11-12,16H,4,9-10,13-15H2
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794n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264275
PNG
(CHEMBL4095095)
Show SMILES CC(C)c1cc2cccnc2c(n1)N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H29N5S/c1-19(2)23-16-21-10-6-11-27-24(21)25(29-23)31-13-7-12-30(14-15-31)17-22-18-32-26(28-22)20-8-4-3-5-9-20/h3-6,8-11,16,18-19H,7,12-15,17H2,1-2H3
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794n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264276
PNG
(CHEMBL4066544)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3
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950n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264270
PNG
(CHEMBL4088584)
Show SMILES Cc1cc(N2CCCN(Cc3csc(n3)-c3ccccc3)CC2)c2nccn2c1
Show InChI InChI=1S/C23H25N5S/c1-18-14-21(22-24-8-11-28(22)15-18)27-10-5-9-26(12-13-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3
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999n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264276
PNG
(CHEMBL4066544)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264270
PNG
(CHEMBL4088584)
Show SMILES Cc1cc(N2CCCN(Cc3csc(n3)-c3ccccc3)CC2)c2nccn2c1
Show InChI InChI=1S/C23H25N5S/c1-18-14-21(22-24-8-11-28(22)15-18)27-10-5-9-26(12-13-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327357
PNG
(CHEMBL4164986)
Show SMILES Cc1[nH]c2c(N3CCO[C@@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264274
PNG
(CHEMBL4067681)
Show SMILES C(N1CCCN(CC1)c1nccc2cccnc12)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5S/c1-2-6-19(7-3-1)23-26-20(17-29-23)16-27-12-5-13-28(15-14-27)22-21-18(9-11-25-22)8-4-10-24-21/h1-4,6-11,17H,5,12-16H2
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1.90E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264274
PNG
(CHEMBL4067681)
Show SMILES C(N1CCCN(CC1)c1nccc2cccnc12)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5S/c1-2-6-19(7-3-1)23-26-20(17-29-23)16-27-12-5-13-28(15-14-27)22-21-18(9-11-25-22)8-4-10-24-21/h1-4,6-11,17H,5,12-16H2
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327359
PNG
(CHEMBL4160507)
Show SMILES Cc1[nH]c2c(N3CCC(N)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H15ClF3N5/c1-7-10(16)11-12(22-7)13(24-4-2-8(21)3-5-24)9(6-20)14(23-11)15(17,18)19/h8,22H,2-5,21H2,1H3
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PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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PubMed
>6.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264281
PNG
(CHEMBL4061464)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCCN(C2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-9-14-29-15-10-26-24(29)23(20)28-13-5-11-27(16-17-28)18-21-6-4-12-30(19-21)25(31)22-7-2-3-8-22/h9-10,14-15,21-22H,2-8,11-13,16-19H2,1H3
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PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264281
PNG
(CHEMBL4061464)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCCN(C2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-9-14-29-15-10-26-24(29)23(20)28-13-5-11-27(16-17-28)18-21-6-4-12-30(19-21)25(31)22-7-2-3-8-22/h9-10,14-15,21-22H,2-8,11-13,16-19H2,1H3
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>8.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264269
PNG
(CHEMBL4075306)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCOC2)CC1
Show InChI InChI=1S/C24H35N5O2/c1-19-3-10-28-13-7-25-23(28)22(19)27-9-2-8-26(14-15-27)17-20-4-11-29(12-5-20)24(30)21-6-16-31-18-21/h3,7,10,13,20-21H,2,4-6,8-9,11-12,14-18H2,1H3
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>9.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327361
PNG
(CHEMBL4172179)
Show SMILES FC(F)(F)c1nc2cc[nH]c2c(N2CCC3(CCNC3=O)CC2)c1C#N
Show InChI InChI=1S/C20H19N3O/c1-23(2)14-15-24-20-19(13-12-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-11H,14-15H2,1-2H3
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264269
PNG
(CHEMBL4075306)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCOC2)CC1
Show InChI InChI=1S/C24H35N5O2/c1-19-3-10-28-13-7-25-23(28)22(19)27-9-2-8-26(14-15-27)17-20-4-11-29(12-5-20)24(30)21-6-16-31-18-21/h3,7,10,13,20-21H,2,4-6,8-9,11-12,14-18H2,1H3
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264247
PNG
(CHEMBL4103538)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22+,23+/m0/s1
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1.25E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264247
PNG
(CHEMBL4103538)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22+,23+/m0/s1
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PubMed
1.26E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327356
PNG
(CHEMBL4172584)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC(CC3)Nc3ccccn3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6/c1-12-10-15-17(26-12)18(14(11-24)19(28-15)20(21,22)23)29-8-5-13(6-9-29)27-16-4-2-3-7-25-16/h2-4,7,10,13,26H,5-6,8-9H2,1H3,(H,25,27)
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1.40E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
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