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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'hesp' and Initial = 'kd'   
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))
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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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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
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))
BDBM50567153
PNG
(CHEMBL4855707)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccc2cccnc12)C(=O)N(C)CC |r|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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))
BDBM50567152
PNG
(CHEMBL4877999)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccc2scnc12)C(=O)N(C)CC |r|
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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))
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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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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))
BDBM50567151
PNG
(CHEMBL4848754)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N(C)CC |r|
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567148
PNG
(CHEMBL4875191)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N1CCC[C@H]1C |r|
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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567143
PNG
(CHEMBL4850844)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)[C@@H]1C[C@]2([H])CC[C@@]1([H])C2 |r|
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151n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50567151
PNG
(CHEMBL4848754)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N(C)CC |r|
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155n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to mouse CXCR7


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567146
PNG
(CHEMBL4867524)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N1CCCC1 |r|
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160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567154
PNG
(CHEMBL4850025)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1ncccc1C#N)C(=O)N(C)CC |r|
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198n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567144
PNG
(CHEMBL4874070)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)C1CCCC1 |r|
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231n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM385890
PNG
(US10287292, Compound 1.068 | US11059825, Compound ...)
Show SMILES O=C(N[C@H]1CCN(C1)c1nccn2ccnc12)c1csc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N6OS/c27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18/h1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27)/t15-/m0/s1
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291n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567147
PNG
(CHEMBL4862143)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N1CCC[C@@H]1C |r|
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370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567150
PNG
(CHEMBL4862073)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N(C)C |r|
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430n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567149
PNG
(CHEMBL4850144)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N(C)C(C)C |r|
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485n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50542061
PNG
(CHEMBL4634148)
Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1
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597n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 receptor expressed in CHOK1 cell membranes incubated for 2 hrs by radiolabeled ligand binding assay


ACS Med Chem Lett 11: 1330-1334 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00163
BindingDB Entry DOI: 10.7270/Q2J38X4M
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50542061
PNG
(CHEMBL4634148)
Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1
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603n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 receptor expressed in CHOK1 cell membranes incubated for 2 hrs by radiolabeled ligand binding assay


ACS Med Chem Lett 11: 1330-1334 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00163
BindingDB Entry DOI: 10.7270/Q2J38X4M
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567139
PNG
(CHEMBL4852282)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)[C@H]1C[C@]2([H])CC[C@@]1([H])O2 |r|
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718n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567139
PNG
(CHEMBL4852282)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)[C@H]1C[C@]2([H])CC[C@@]1([H])O2 |r|
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718n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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
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))
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))
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))
BDBM50567141
PNG
(CHEMBL4859270)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC[C@@H](CC1)C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12 |r|
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889n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50567140
PNG
(CHEMBL4847700)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCCC(CC1)C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12 |r|
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1.23E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F
More data for this
Ligand-Target Pair
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