Found 61 hits with Last Name = 'khot' and Initial = 'v' 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)) | BDBM50061718
(CHEMBL3394200)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N |r| Show InChI InChI=1S/C31H33N5O3/c1-21-13-27(34-20-33-21)23-3-6-26-22(14-23)4-7-28(26)36-18-31(19-36)9-11-35(12-10-31)30(37)17-39-29-8-5-25(38-2)15-24(29)16-32/h3,5-6,8,13-15,20,28H,4,7,9-12,17-19H2,1-2H3/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
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)) | BDBM50061725
(CHEMBL3394195)Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(cn1)C1CC1 |r| Show InChI InChI=1S/C31H35N5O/c1-21-14-28(34-20-33-21)24-5-8-27-23(15-24)6-9-29(27)36-18-31(19-36)10-12-35(13-11-31)30(37)16-26-7-4-25(17-32-26)22-2-3-22/h4-5,7-8,14-15,17,20,22,29H,2-3,6,9-13,16,18-19H2,1H3/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | 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]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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)) | 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 | |
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)) | 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
| 6.90 | 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]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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)) | BDBM50061717
(CHEMBL3394201)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r| Show InChI InChI=1S/C31H35N5O3/c1-20-13-27(34-19-33-20)23-4-7-25-21(14-23)5-8-28(25)36-17-31(18-36)9-11-35(12-10-31)29(37)15-22-3-6-24(39-2)16-26(22)30(32)38/h3-4,6-7,13-14,16,19,28H,5,8-12,15,17-18H2,1-2H3,(H2,32,38)/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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 | |
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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061720
(CHEMBL3394199)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N |r| Show InChI InChI=1S/C31H33N5O2/c1-21-13-28(34-20-33-21)24-4-7-27-23(14-24)5-8-29(27)36-18-31(19-36)9-11-35(12-10-31)30(37)16-22-3-6-26(38-2)15-25(22)17-32/h3-4,6-7,13-15,20,29H,5,8-12,16,18-19H2,1-2H3/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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
| 14 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061713
(CHEMBL3394205)Show SMILES CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CN(C2)[C@@H]2CCc3cc(ccc23)-c2cc(C)ncn2)CC1 |r| Show InChI InChI=1S/C32H37N5O3/c1-21-14-28(35-20-34-21)24-5-8-26-22(15-24)6-9-29(26)37-18-32(19-37)10-12-36(13-11-32)30(38)16-23-4-7-25(40-3)17-27(23)31(39)33-2/h4-5,7-8,14-15,17,20,29H,6,9-13,16,18-19H2,1-3H3,(H,33,39)/t29-/m1/s1 | PDB
Reactome pathway
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PubMed
| 20 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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
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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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061712
(CHEMBL3394206)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(NC(C)=O)c1 |r| Show InChI InChI=1S/C32H37N5O3/c1-21-14-28(34-20-33-21)24-5-8-27-23(15-24)6-9-30(27)37-18-32(19-37)10-12-36(13-11-32)31(39)16-25-4-7-26(40-3)17-29(25)35-22(2)38/h4-5,7-8,14-15,17,20,30H,6,9-13,16,18-19H2,1-3H3,(H,35,38)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 28 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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
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UniChem
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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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061727
(CHEMBL3394193)Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O/c1-20-3-6-24(30-16-20)15-28(35)33-11-9-29(10-12-33)17-34(18-29)27-8-5-22-14-23(4-7-25(22)27)26-13-21(2)31-19-32-26/h3-4,6-7,13-14,16,19,27H,5,8-12,15,17-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 49 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061726
(CHEMBL3394194)Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C30H35N5O/c1-3-22-4-7-25(31-17-22)16-29(36)34-12-10-30(11-13-34)18-35(19-30)28-9-6-23-15-24(5-8-26(23)28)27-14-21(2)32-20-33-27/h4-5,7-8,14-15,17,20,28H,3,6,9-13,16,18-19H2,1-2H3/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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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]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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
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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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061721
(CHEMBL3394198)Show SMILES CCn1nc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c2cccnc12 |r| Show InChI InChI=1S/C31H35N7O/c1-3-38-30-25(5-4-12-32-30)27(35-38)17-29(39)36-13-10-31(11-14-36)18-37(19-31)28-9-7-22-16-23(6-8-24(22)28)26-15-21(2)33-20-34-26/h4-6,8,12,15-16,20,28H,3,7,9-11,13-14,17-19H2,1-2H3/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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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]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061724
(CHEMBL3394196)Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C29H31N7O/c1-19-13-24(32-18-31-19)21-4-6-22-20(14-21)5-7-26(22)36-16-29(17-36)8-11-35(12-9-29)27(37)15-25-23-3-2-10-30-28(23)34-33-25/h2-4,6,10,13-14,18,26H,5,7-9,11-12,15-17H2,1H3,(H,30,33,34)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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
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UniChem
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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 | |
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
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UniChem
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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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061715
(CHEMBL3394203)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r| Show InChI InChI=1S/C31H35N5O4/c1-20-13-26(34-19-33-20)22-3-6-24-21(14-22)4-7-27(24)36-17-31(18-36)9-11-35(12-10-31)29(37)16-40-28-8-5-23(39-2)15-25(28)30(32)38/h3,5-6,8,13-15,19,27H,4,7,9-12,16-18H2,1-2H3,(H2,32,38)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 127 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061714
(CHEMBL3394204)Show SMILES COc1ccc(CCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-21-15-28(35-20-34-21)24-4-8-26-23(16-24)5-9-29(26)37-18-32(19-37)11-13-36(14-12-32)30(38)10-6-22-3-7-25(40-2)17-27(22)31(33)39/h3-4,7-8,15-17,20,29H,5-6,9-14,18-19H2,1-2H3,(H2,33,39)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| 139 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061723
(CHEMBL3394197)Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1nn(C)c2ncccc12 |r| Show InChI InChI=1S/C30H33N7O/c1-20-14-25(33-19-32-20)22-5-7-23-21(15-22)6-8-27(23)37-17-30(18-37)9-12-36(13-10-30)28(38)16-26-24-4-3-11-31-29(24)35(2)34-26/h3-5,7,11,14-15,19,27H,6,8-10,12-13,16-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| 166 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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
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AffyNet
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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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061716
(CHEMBL3394202)Show SMILES COc1cc(C(N)=O)c(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccc(C)n3)CC2)cn1 |r| Show InChI InChI=1S/C30H34N6O3/c1-19-7-10-32-29(34-19)21-3-5-23-20(13-21)4-6-25(23)36-17-30(18-36)8-11-35(12-9-30)27(37)14-22-16-33-26(39-2)15-24(22)28(31)38/h3,5,7,10,13,15-16,25H,4,6,8-9,11-12,14,17-18H2,1-2H3,(H2,31,38)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 263 | 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 GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
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
| 407 | 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 | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346031
(6-{4-Cyano-3-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-di...)Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(ccc1C#N)C1CC2CC1C1C2C1C(O)=O |r| Show InChI InChI=1S/C32H38N2O4/c1-32(2,14-18-9-19-5-3-4-6-20(19)10-18)34-16-24(35)17-38-27-13-21(7-8-22(27)15-33)25-11-23-12-26(25)29-28(23)30(29)31(36)37/h3-8,13,18,23-26,28-30,34-35H,9-12,14,16-17H2,1-2H3,(H,36,37)/t23?,24-,25?,26?,28?,29?,30?/m1/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346032
(6-[2-((R)-1-{(R)-3-[2-(3-Chloro-4-methyl-phenyl)-1...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(Cl)c1)c1ccccc1C1CC2CC1C1C2C1C(O)=O |r| Show InChI InChI=1S/C31H40ClNO4/c1-17-9-10-19(11-26(17)32)14-31(3,4)33-15-21(34)16-37-18(2)22-7-5-6-8-23(22)24-12-20-13-25(24)28-27(20)29(28)30(35)36/h5-11,18,20-21,24-25,27-29,33-34H,12-16H2,1-4H3,(H,35,36)/t18-,20?,21-,24?,25?,27?,28?,29?/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50161093
((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r| Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346033
(6-(4-Cyano-3-{(R)-3-[2-(3-fluoro-4-methyl-phenyl)-...)Show SMILES Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cc(ccc2C#N)C2CC3CC2C2C3C2C(O)=O)cc1F |r| Show InChI InChI=1S/C30H35FN2O4/c1-16-4-5-17(8-24(16)31)12-30(2,3)33-14-21(34)15-37-25-11-18(6-7-19(25)13-32)22-9-20-10-23(22)27-26(20)28(27)29(35)36/h4-8,11,20-23,26-28,33-34H,9-10,12,14-15H2,1-3H3,(H,35,36)/t20?,21-,22?,23?,26?,27?,28?/m1/s1 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50318873
((1S,2S,3R,4R,5S)-6-{2-[(1R)-1-[(2R)-3-{[1-(3-fluor...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(F)c1)c1ccccc1C1C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@H]1C(O)=O |r| Show InChI InChI=1S/C31H40FNO4/c1-17-9-10-19(11-26(17)32)14-31(3,4)33-15-21(34)16-37-18(2)22-7-5-6-8-23(22)24-12-20-13-25(24)28-27(20)29(28)30(35)36/h5-11,18,20-21,24-25,27-29,33-34H,12-16H2,1-4H3,(H,35,36)/t18-,20-,21-,24?,25-,27?,28-,29-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346034
(6-[2-((R)-1-{(R)-3-[2-(4-Chloro-2-fluoro-phenyl)-1...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1C1CC2CC1C1C2C1C(O)=O |r| Show InChI InChI=1S/C30H37ClFNO4/c1-16(37-15-20(34)14-33-30(2,3)13-17-8-9-19(31)12-25(17)32)21-6-4-5-7-22(21)23-10-18-11-24(23)27-26(18)28(27)29(35)36/h4-9,12,16,18,20,23-24,26-28,33-34H,10-11,13-15H2,1-3H3,(H,35,36)/t16-,18?,20-,23?,24?,26?,27?,28?/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346035
(6-{3,4-Difluoro-5-[(R)-2-hydroxy-3-(2-indan-2-yl-1...)Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(cc(F)c1F)C1CC2CC1C1C2C1C(O)=O |r| Show InChI InChI=1S/C31H37F2NO4/c1-31(2,13-16-7-17-5-3-4-6-18(17)8-16)34-14-21(35)15-38-25-12-19(11-24(32)29(25)33)22-9-20-10-23(22)27-26(20)28(27)30(36)37/h3-6,11-12,16,20-23,26-28,34-35H,7-10,13-15H2,1-2H3,(H,36,37)/t20?,21-,22?,23?,26?,27?,28?/m1/s1 | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346036
(CHEMBL1198855 | Ronacaleret)Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(O)=O)cc(F)c1F |r| Show InChI InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346037
(6-(4-Fluoro-3-{(R)-3-[2-(3-fluoro-4-methyl-phenyl)...)Show SMILES Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cc(ccc2F)C2CC3CC2C2C3C2C(O)=O)cc1F |r| Show InChI InChI=1S/C29H35F2NO4/c1-15-4-5-16(8-23(15)31)12-29(2,3)32-13-19(33)14-36-24-11-17(6-7-22(24)30)20-9-18-10-21(20)26-25(18)27(26)28(34)35/h4-8,11,18-21,25-27,32-33H,9-10,12-14H2,1-3H3,(H,34,35)/t18?,19-,20?,21?,25?,26?,27?/m1/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Rattus norvegicus) | BDBM50346036
(CHEMBL1198855 | Ronacaleret)Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(O)=O)cc(F)c1F |r| Show InChI InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at rat calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346038
(6-(4-Cyano-3-{(R)-3-[1,1-dimethyl-2-(1-oxo-1,3-dih...)Show SMILES CC(C)(CN1Cc2ccccc2C1=O)NC[C@@H](O)COc1cc(ccc1C#N)C1CC2CC1C1C2C1C(O)=O |r| Show InChI InChI=1S/C31H35N3O5/c1-31(2,16-34-14-19-5-3-4-6-22(19)29(34)36)33-13-21(35)15-39-25-11-17(7-8-18(25)12-32)23-9-20-10-24(23)27-26(20)28(27)30(37)38/h3-8,11,20-21,23-24,26-28,33,35H,9-10,13-16H2,1-2H3,(H,37,38)/t20?,21-,23?,24?,26?,27?,28?/m1/s1 | PDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346039
(6-{3-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dimethyl-e...)Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cccc(c1)C1CC2CC1C1C2C1C(O)=O |r| Show InChI InChI=1S/C31H39NO4/c1-31(2,15-18-10-19-6-3-4-7-20(19)11-18)32-16-23(33)17-36-24-9-5-8-21(12-24)25-13-22-14-26(25)28-27(22)29(28)30(34)35/h3-9,12,18,22-23,25-29,32-33H,10-11,13-17H2,1-2H3,(H,34,35)/t22?,23-,25?,26?,27?,28?,29?/m1/s1 | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(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
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
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PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346041
(6-(2-{(R)-1-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dim...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1)c1ccccc1C1CC2CC1C1C2C1C(O)=O |r| Show InChI InChI=1S/C33H43NO4/c1-19(25-10-6-7-11-26(25)27-14-23-15-28(27)30-29(23)31(30)32(36)37)38-18-24(35)17-34-33(2,3)16-20-12-21-8-4-5-9-22(21)13-20/h4-11,19-20,23-24,27-31,34-35H,12-18H2,1-3H3,(H,36,37)/t19-,23?,24-,27?,28?,29?,30?,31?/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 3328-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7 |
More data for this
Ligand-Target Pair | |
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