Found 383 hits with Last Name = 'sivars' and Initial = 'u' 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) |
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)) | 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)) | 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)) | 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 | |
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 | |
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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
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)) | 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)) | 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 | |
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)) | 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)) | 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 | |
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)) | 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 | |
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 | 21 | 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)) | 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 | 22 | 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 | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM21625
(2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole | 2-phen...)Show InChI InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50084155
(CHEMBL3425953)Show SMILES O=C(CCc1cccnc1)Nc1cncc(c1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H18N4O/c26-21(7-6-15-3-2-9-22-12-15)25-17-11-16(13-23-14-17)18-4-1-5-20-19(18)8-10-24-20/h1-5,8-14,24H,6-7H2,(H,25,26) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280785
(CHEMBL4168863)Show SMILES CN1CCC[C@H]1CC(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1ccc2n(C)ccc2c1 |r| Show InChI InChI=1S/C26H30N4O2/c1-29-12-5-7-20(29)16-24(31)28-25-21-8-4-3-6-17(21)15-22(25)27-26(32)19-9-10-23-18(14-19)11-13-30(23)2/h3-4,6,8-11,13-14,20,22,25H,5,7,12,15-16H2,1-2H3,(H,27,32)(H,28,31)/t20-,22-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | 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)) | BDBM50544348
(CHEMBL4637284)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cnccn1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-18-16(10-15)11-19(27-18)23(32)28-20-14-30(35(33,34)21-12-24-6-7-25-21)13-17(20)22(31)26-8-9-29(2)3/h4-7,10-12,17,20,27H,8-9,13-14H2,1-3H3,(H,26,31)(H,28,32)/t17-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | 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 | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50084258
(CHEMBL3425959)Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(Oc2ccccc2)nc1 Show InChI InChI=1S/C19H20F3N3O2/c20-19(21,22)13-25-10-8-15(9-11-25)24-18(26)14-6-7-17(23-12-14)27-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13H2,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280776
(CHEMBL4174302)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cnccc1N |r| Show InChI InChI=1S/C25H23N5O2/c1-14-6-7-20-16(10-14)12-22(28-20)25(32)29-21-11-15-4-2-3-5-17(15)23(21)30-24(31)18-13-27-9-8-19(18)26/h2-10,12-13,21,23,28H,11H2,1H3,(H2,26,27)(H,29,32)(H,30,31)/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 | 32 | 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)) | BDBM50280785
(CHEMBL4168863)Show SMILES CN1CCC[C@H]1CC(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1ccc2n(C)ccc2c1 |r| Show InChI InChI=1S/C26H30N4O2/c1-29-12-5-7-20(29)16-24(31)28-25-21-8-4-3-6-17(21)15-22(25)27-26(32)19-9-10-23-18(14-19)11-13-30(23)2/h3-4,6,8-11,13-14,20,22,25H,5,7,12,15-16H2,1-2H3,(H,27,32)(H,28,31)/t20-,22-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | 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)) | BDBM50544348
(CHEMBL4637284)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cnccn1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-18-16(10-15)11-19(27-18)23(32)28-20-14-30(35(33,34)21-12-24-6-7-25-21)13-17(20)22(31)26-8-9-29(2)3/h4-7,10-12,17,20,27H,8-9,13-14H2,1-3H3,(H,26,31)(H,28,32)/t17-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | 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 | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50084156
(CHEMBL3425954)Show InChI InChI=1S/C16H15N3O/c1-2-16(20)19-12-8-11(9-17-10-12)13-4-3-5-15-14(13)6-7-18-15/h3-10,18H,2H2,1H3,(H,19,20) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280776
(CHEMBL4174302)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cnccc1N |r| Show InChI InChI=1S/C25H23N5O2/c1-14-6-7-20-16(10-14)12-22(28-20)25(32)29-21-11-15-4-2-3-5-17(15)23(21)30-24(31)18-13-27-9-8-19(18)26/h2-10,12-13,21,23,28H,11H2,1H3,(H2,26,27)(H,29,32)(H,30,31)/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 | 35 | 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 Plasmodium berghei |
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 | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50084157
(CHEMBL3425955)Show SMILES O=C(Nc1cncc(c1)-c1cccc2[nH]ccc12)[C@@H]1CCC(=O)N1 |r| | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50544347
(CHEMBL4633695)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnnc1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-19-16(10-15)11-20(27-19)23(32)28-21-14-30(35(33,34)17-6-7-25-26-12-17)13-18(21)22(31)24-8-9-29(2)3/h4-7,10-12,18,21,27H,8-9,13-14H2,1-3H3,(H,24,31)(H,28,32)/t18-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | 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)) | BDBM50544353
(CHEMBL4649860)Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C23H33N5O4S/c1-15-4-7-19-16(12-15)13-21(25-19)23(30)26-20-8-10-28(33(31,32)17-5-6-17)14-18(20)22(29)24-9-11-27(2)3/h4,7,12-13,17-18,20,25H,5-6,8-11,14H2,1-3H3,(H,24,29)(H,26,30)/t18-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | 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)) | BDBM50544347
(CHEMBL4633695)Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnnc1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-19-16(10-15)11-20(27-19)23(32)28-21-14-30(35(33,34)17-6-7-25-26-12-17)13-18(21)22(31)24-8-9-29(2)3/h4-7,10-12,18,21,27H,8-9,13-14H2,1-3H3,(H,24,31)(H,28,32)/t18-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | 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)) | BDBM50544353
(CHEMBL4649860)Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C23H33N5O4S/c1-15-4-7-19-16(12-15)13-21(25-19)23(30)26-20-8-10-28(33(31,32)17-5-6-17)14-18(20)22(29)24-9-11-27(2)3/h4,7,12-13,17-18,20,25H,5-6,8-11,14H2,1-3H3,(H,24,29)(H,26,30)/t18-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | 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 | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50084255
(CHEMBL3425956)Show InChI InChI=1S/C16H13N7O/c24-16(9-23-10-19-21-22-23)20-12-6-11(7-17-8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,10,18H,9H2,(H,20,24) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50084259
(CHEMBL3425960)Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCCC1 Show InChI InChI=1S/C18H25F3N4O/c19-18(20,21)13-24-10-6-15(7-11-24)23-17(26)14-4-5-16(22-12-14)25-8-2-1-3-9-25/h4-5,12,15H,1-3,6-11,13H2,(H,23,26) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50280808
(CHEMBL4170865)Show SMILES Nc1ccncc1C(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C24H21N5O2/c25-18-9-10-26-13-17(18)23(30)29-22-16-7-3-1-5-14(16)11-20(22)28-24(31)21-12-15-6-2-4-8-19(15)27-21/h1-10,12-13,20,22,27H,11H2,(H2,25,26)(H,28,31)(H,29,30)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 49 | 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)) | BDBM50280808
(CHEMBL4170865)Show SMILES Nc1ccncc1C(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C24H21N5O2/c25-18-9-10-26-13-17(18)23(30)29-22-16-7-3-1-5-14(16)11-20(22)28-24(31)21-12-15-6-2-4-8-19(15)27-21/h1-10,12-13,20,22,27H,11H2,(H2,25,26)(H,28,31)(H,29,30)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 50 | 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 | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50084153
(CHEMBL3425948)Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins... |
Bioorg Med Chem Lett 25: 2496-500 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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