Found 546 hits with Last Name = 'shamovsky' and Initial = 'i' 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)) | BDBM50049478
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/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
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/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
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414981
(CHEMBL567417)Show SMILES CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-3-10-29(4-2)19-24-22(6-5-7-26(24)35-29)21-32-15-11-28(12-16-32)13-17-33(18-14-28)27(34)25-9-8-23(30)20-31-25/h5-9,20H,3-4,10-19,21,30H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50414959
(CHEMBL409224)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414982
(CHEMBL579072)Show SMILES CC1(C)Oc2c(cccc2CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(N)cn2)C1(F)F Show InChI InChI=1S/C26H32F2N4O2/c1-24(2)26(27,28)20-5-3-4-18(22(20)34-24)17-31-12-8-25(9-13-31)10-14-32(15-11-25)23(33)21-7-6-19(29)16-30-21/h3-7,16H,8-15,17,29H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414974
(CHEMBL568523)Show SMILES CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)c2O1 Show InChI InChI=1S/C26H34N4O2/c1-25(2)16-19-4-3-5-20(23(19)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-21(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414980
(CHEMBL568294)Show SMILES CC(C)(C)C1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-27(2,3)28(4)18-23-21(6-5-7-25(23)35-28)20-32-14-10-29(11-15-32)12-16-33(17-13-29)26(34)24-9-8-22(30)19-31-24/h5-9,19H,10-18,20,30H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.82 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544339
(CHEMBL4639379)Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544339
(CHEMBL4639379)Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280783
(CHEMBL4164328)Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C23H26N4O2/c1-27(2)12-11-24-23(29)21-17-9-5-3-7-15(17)13-19(21)26-22(28)20-14-16-8-4-6-10-18(16)25-20/h3-10,14,19,21,25H,11-13H2,1-2H3,(H,24,29)(H,26,28)/t19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280783
(CHEMBL4164328)Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C23H26N4O2/c1-27(2)12-11-24-23(29)21-17-9-5-3-7-15(17)13-19(21)26-22(28)20-14-16-8-4-6-10-18(16)25-20/h3-10,14,19,21,25H,11-13H2,1-2H3,(H,24,29)(H,26,28)/t19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544341
(CHEMBL4647797)Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414983
(CHEMBL574655)Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccncn2)c1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-7-2-3-8-26(25)35-23-6-4-5-22(19-23)20-31-15-10-28(11-16-31)12-17-32(18-13-28)27(33)24-9-14-29-21-30-24/h2-9,14,19,21H,10-13,15-18,20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544341
(CHEMBL4647797)Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544340
(CHEMBL4637980)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544340
(CHEMBL4637980)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414986
(CHEMBL568522)Show SMILES CC1(C)Oc2c(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)cccc2C=C1 |c:35| Show InChI InChI=1S/C27H34N4O2/c1-26(2)8-6-20-4-3-5-22(24(20)33-26)19-30-14-9-27(10-15-30)11-16-31(17-12-27)25(32)21-7-13-29-23(28)18-21/h3-8,13,18H,9-12,14-17,19H2,1-2H3,(H2,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.62 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50524103
(CHEMBL4563459)Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r| Show InChI InChI=1S/C27H34N6O4/c1-16-14-21(31-30-16)17-10-12-18(13-11-17)24(34)19-8-6-7-9-20(19)25(35)29-22-15-28-33(5)23(22)26(36)32-37-27(2,3)4/h10-15,19-20H,6-9H2,1-5H3,(H,29,35)(H,30,31)(H,32,36)/t19-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation countin... |
J Med Chem 62: 4312-4324 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02004
BindingDB Entry DOI: 10.7270/Q25T3PXZ |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50524102
(CHEMBL4542281)Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r| Show InChI InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation countin... |
J Med Chem 62: 4312-4324 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02004
BindingDB Entry DOI: 10.7270/Q25T3PXZ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50414958
(CHEMBL259243)Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-12-10-23(11-13-25)28(33)32-20-16-29(17-21-32)14-18-31(19-15-29)22-24-6-4-5-9-27(24)34-26-7-2-1-3-8-26/h1-13H,14-22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.46 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414975
(CHEMBL584087)Show SMILES CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1 Show InChI InChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.61 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414978
(CHEMBL566543)Show SMILES CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C26H34N4O2/c1-25(2)16-21-19(4-3-5-23(21)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-20(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414964
(CHEMBL271128)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414964
(CHEMBL271128)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50423492
(CHEMBL409648)Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-7-2-3-8-28(27)36-26-6-4-5-23(21-26)22-32-17-13-30(14-18-32)15-19-33(20-16-30)29(34)24-9-11-25(31)12-10-24/h2-12,21H,13-20,22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280781
(CHEMBL4164040)Show SMILES Nc1ccncc1C(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2c(F)cc(F)cc2[nH]1 |r| Show InChI InChI=1S/C24H19F2N5O2/c25-13-8-17(26)15-10-21(29-19(15)9-13)24(33)30-20-7-12-3-1-2-4-14(12)22(20)31-23(32)16-11-28-6-5-18(16)27/h1-6,8-11,20,22,29H,7H2,(H2,27,28)(H,30,33)(H,31,32)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro inhibition of dihydrofolate reductase of Escherichia coli |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280780
(CHEMBL4169979)Show SMILES CN(C)CCN(C)C(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C25H30N4O2/c1-16-9-10-20-18(13-16)15-22(26-20)24(30)27-21-14-17-7-5-6-8-19(17)23(21)25(31)29(4)12-11-28(2)3/h5-10,13,15,21,23,26H,11-12,14H2,1-4H3,(H,27,30)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280846
(CHEMBL4171914)Show SMILES Cn1ccc2c(F)c(ccc12)C(=O)N[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cnccc1N |r| Show InChI InChI=1S/C25H22FN5O2/c1-31-11-9-16-21(31)7-6-17(22(16)26)24(32)29-20-12-14-4-2-3-5-15(14)23(20)30-25(33)18-13-28-10-8-19(18)27/h2-11,13,20,23H,12H2,1H3,(H2,27,28)(H,29,32)(H,30,33)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280848
(CHEMBL4170481)Show SMILES CN1CCO[C@@H](C1)C(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C25H28N4O3/c1-15-7-8-19-17(11-15)13-21(26-19)24(30)27-20-12-16-5-3-4-6-18(16)23(20)28-25(31)22-14-29(2)9-10-32-22/h3-8,11,13,20,22-23,26H,9-10,12,14H2,1-2H3,(H,27,30)(H,28,31)/t20-,22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280846
(CHEMBL4171914)Show SMILES Cn1ccc2c(F)c(ccc12)C(=O)N[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cnccc1N |r| Show InChI InChI=1S/C25H22FN5O2/c1-31-11-9-16-21(31)7-6-17(22(16)26)24(32)29-20-12-14-4-2-3-5-15(14)23(20)30-25(33)18-13-28-10-8-19(18)27/h2-11,13,20,23H,12H2,1H3,(H2,27,28)(H,29,32)(H,30,33)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280781
(CHEMBL4164040)Show SMILES Nc1ccncc1C(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2c(F)cc(F)cc2[nH]1 |r| Show InChI InChI=1S/C24H19F2N5O2/c25-13-8-17(26)15-10-21(29-19(15)9-13)24(33)30-20-7-12-3-1-2-4-14(12)22(20)31-23(32)16-11-28-6-5-18(16)27/h1-6,8-11,20,22,29H,7H2,(H2,27,28)(H,30,33)(H,31,32)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280780
(CHEMBL4169979)Show SMILES CN(C)CCN(C)C(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C25H30N4O2/c1-16-9-10-20-18(13-16)15-22(26-20)24(30)27-21-14-17-7-5-6-8-19(17)23(21)25(31)29(4)12-11-28(2)3/h5-10,13,15,21,23,26H,11-12,14H2,1-4H3,(H,27,30)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280848
(CHEMBL4170481)Show SMILES CN1CCO[C@@H](C1)C(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C25H28N4O3/c1-15-7-8-19-17(11-15)13-21(26-19)24(30)27-20-12-16-5-3-4-6-18(16)23(20)28-25(31)22-14-29(2)9-10-32-22/h3-8,11,13,20,22-23,26H,9-10,12,14H2,1-2H3,(H,27,30)(H,28,31)/t20-,22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414966
(CHEMBL573216)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544349
(CHEMBL4636571)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-16-5-6-21-18(11-16)13-22(28-21)25(33)29-23-15-31(14-20(23)24(32)27-9-10-30(3)4)36(34,35)19-7-8-26-17(2)12-19/h5-8,11-13,20,23,28H,9-10,14-15H2,1-4H3,(H,27,32)(H,29,33)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544346
(CHEMBL4645148)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C24H30N6O4S/c1-16-6-7-20-17(11-16)12-21(27-20)24(32)28-22-15-30(35(33,34)18-5-4-8-25-13-18)14-19(22)23(31)26-9-10-29(2)3/h4-8,11-13,19,22,27H,9-10,14-15H2,1-3H3,(H,26,31)(H,28,32)/t19-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544352
(CHEMBL4640615)Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-17-6-7-21-18(13-17)14-23(28-21)25(33)29-22-8-11-31(36(34,35)19-5-4-9-26-15-19)16-20(22)24(32)27-10-12-30(2)3/h4-7,9,13-15,20,22,28H,8,10-12,16H2,1-3H3,(H,27,32)(H,29,33)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280852
(CHEMBL4171040)Show SMILES CN(C)CCC(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(25-19)24(30)26-20-13-16-6-4-5-7-18(16)23(20)27-22(29)10-11-28(2)3/h4-9,12,14,20,23,25H,10-11,13H2,1-3H3,(H,26,30)(H,27,29)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544346
(CHEMBL4645148)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C24H30N6O4S/c1-16-6-7-20-17(11-16)12-21(27-20)24(32)28-22-15-30(35(33,34)18-5-4-8-25-13-18)14-19(22)23(31)26-9-10-29(2)3/h4-8,11-13,19,22,27H,9-10,14-15H2,1-3H3,(H,26,31)(H,28,32)/t19-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544349
(CHEMBL4636571)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-16-5-6-21-18(11-16)13-22(28-21)25(33)29-23-15-31(14-20(23)24(32)27-9-10-30(3)4)36(34,35)19-7-8-26-17(2)12-19/h5-8,11-13,20,23,28H,9-10,14-15H2,1-4H3,(H,27,32)(H,29,33)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544352
(CHEMBL4640615)Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-17-6-7-21-18(13-17)14-23(28-21)25(33)29-22-8-11-31(36(34,35)19-5-4-9-26-15-19)16-20(22)24(32)27-10-12-30(2)3/h4-7,9,13-15,20,22,28H,8,10-12,16H2,1-3H3,(H,27,32)(H,29,33)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50411749
(CHEMBL271127)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccn1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-11-4-5-12-27(26)35-25-10-3-2-8-23(25)22-31-18-13-29(14-19-31)15-20-32(21-16-29)28(33)24-9-6-7-17-30-24/h2-12,17H,13-16,18-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280852
(CHEMBL4171040)Show SMILES CN(C)CCC(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(25-19)24(30)26-20-13-16-6-4-5-7-18(16)23(20)27-22(29)10-11-28(2)3/h4-9,12,14,20,23,25H,10-11,13H2,1-3H3,(H,26,30)(H,27,29)/t20-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50524107
(CHEMBL4568594)Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(O)=O |r| Show InChI InChI=1S/C23H25N5O4/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(29)16-5-3-4-6-17(16)22(30)25-19-12-24-28(2)20(19)23(31)32/h7-12,16-17H,3-6H2,1-2H3,(H,25,30)(H,26,27)(H,31,32)/t16-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation countin... |
J Med Chem 62: 4312-4324 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02004
BindingDB Entry DOI: 10.7270/Q25T3PXZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414967
(CHEMBL271801)Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17.4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414967
(CHEMBL271801)Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414957
(CHEMBL429436)Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414957
(CHEMBL429436)Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50083974
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2| Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
J Med Chem 61: 5974-5987 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544350
(CHEMBL4645625)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cn(C)nc1C |r| Show InChI InChI=1S/C24H33N7O4S/c1-15-6-7-19-17(10-15)11-20(26-19)24(33)27-21-13-31(12-18(21)23(32)25-8-9-29(3)4)36(34,35)22-14-30(5)28-16(22)2/h6-7,10-11,14,18,21,26H,8-9,12-13H2,1-5H3,(H,25,32)(H,27,33)/t18-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method |
J Med Chem 63: 9705-9730 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K |
More data for this
Ligand-Target Pair | |
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