Found 720 hits with Last Name = 'londregan' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019921
(CHEMBL3287213)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ncccn4)CC3)nc2s1 |r| Show InChI InChI=1S/C28H30N6OS/c1-19-15-33-16-22(31-27(33)36-19)14-25(35)32-11-7-28(8-12-32)17-34(18-28)24-6-4-20-13-21(3-5-23(20)24)26-29-9-2-10-30-26/h2-3,5,9-10,13,15-16,24H,4,6-8,11-12,14,17-18H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440261
(CHEMBL2426677)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019926
(CHEMBL3287218)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |r| Show InChI InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019926
(CHEMBL3287218)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |r| Show InChI InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019921
(CHEMBL3287213)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ncccn4)CC3)nc2s1 |r| Show InChI InChI=1S/C28H30N6OS/c1-19-15-33-16-22(31-27(33)36-19)14-25(35)32-11-7-28(8-12-32)17-34(18-28)24-6-4-20-13-21(3-5-23(20)24)26-29-9-2-10-30-26/h2-3,5,9-10,13,15-16,24H,4,6-8,11-12,14,17-18H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50264278
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440251
(CHEMBL2426687)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019922
(CHEMBL3287214)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ccc(nc4)C(N)=O)CC3)nc2s1 |r| Show InChI InChI=1S/C30H32N6O2S/c1-19-15-35-16-23(33-29(35)39-19)13-27(37)34-10-8-30(9-11-34)17-36(18-30)26-7-4-21-12-20(2-5-24(21)26)22-3-6-25(28(31)38)32-14-22/h2-3,5-6,12,14-16,26H,4,7-11,13,17-18H2,1H3,(H2,31,38)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50264279
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019925
(CHEMBL3287217)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-13-26(32-19-31-20)22-3-7-25-21(14-22)4-8-27(25)34-17-29(18-34)9-11-33(12-10-29)28(35)15-23-5-6-24(36-2)16-30-23/h3,5-7,13-14,16,19,27H,4,8-12,15,17-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50264279
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019924
(CHEMBL3287216)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccc(C)n3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-9-12-30-28(32-20)22-3-7-25-21(15-22)4-8-26(25)34-18-29(19-34)10-13-33(14-11-29)27(35)16-23-5-6-24(36-2)17-31-23/h3,5-7,9,12,15,17,26H,4,8,10-11,13-14,16,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019925
(CHEMBL3287217)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-13-26(32-19-31-20)22-3-7-25-21(14-22)4-8-27(25)34-17-29(18-34)9-11-33(12-10-29)28(35)15-23-5-6-24(36-2)16-30-23/h3,5-7,13-14,16,19,27H,4,8-12,15,17-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440261
(CHEMBL2426677)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567153
(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| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440259
(CHEMBL2426680)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50264271
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440259
(CHEMBL2426680)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50264271
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019924
(CHEMBL3287216)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccc(C)n3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-9-12-30-28(32-20)22-3-7-25-21(15-22)4-8-26(25)34-18-29(19-34)10-13-33(14-11-29)27(35)16-23-5-6-24(36-2)17-31-23/h3,5-7,9,12,15,17,26H,4,8,10-11,13-14,16,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Mus musculus) | BDBM50264279
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019923
(CHEMBL3287215)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ccncn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O2/c1-35-23-5-4-22(30-16-23)15-27(34)32-12-9-28(10-13-32)17-33(18-28)26-7-3-20-14-21(2-6-24(20)26)25-8-11-29-19-31-25/h2,4-6,8,11,14,16,19,26H,3,7,9-10,12-13,15,17-18H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245983
((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440251
(CHEMBL2426687)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245937
((2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(p...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1 |r| Show InChI InChI=1S/C25H26BrN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50246518
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-9-5-4-6-10-19)21-11-7-8-12-23(21)31(22)25(32)18-13-15-20(16-14-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245772
((4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phe...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567143
(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| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4867524)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N1CCCC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 198 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245982
((2R,3S,4S)-N-(3,5-dimethoxyphenyl)-2-ethyl-3-methy...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C27H31N3O3/c1-5-24-18(2)26(28-19-11-7-6-8-12-19)23-13-9-10-14-25(23)30(24)27(31)29-20-15-21(32-3)17-22(16-20)33-4/h6-18,24,26,28H,5H2,1-4H3,(H,29,31)/t18-,24-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386942
(CHEMBL2048807)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc5OC(C)(C)CCc5c4)C3)CC2)cc1 Show InChI InChI=1S/C28H36N2O4/c1-27(2)11-10-22-16-21(4-9-25(22)34-27)17-29-19-28(20-29)12-14-30(15-13-28)26(31)18-33-24-7-5-23(32-3)6-8-24/h4-9,16H,10-15,17-20H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567144
(CHEMBL4874070)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)C1CCCC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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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