Found 45 hits with Last Name = 'maekawa' and Initial = 'm' 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 |
|---|
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337114
(2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
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 |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337116
(2'-((1R)-1-{(2R)-3-[2-methyl-1-(naphthalen-2-yl)pr...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C33H37NO4/c1-22-17-27(15-16-29(22)32(36)37)31-12-8-7-11-30(31)23(2)38-21-28(35)20-34-33(3,4)19-24-13-14-25-9-5-6-10-26(25)18-24/h5-18,23,28,34-35H,19-21H2,1-4H3,(H,36,37)/t23-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337113
((RS)-2'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337103
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1 | PDB
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CHEMBL
MCE
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PC sid
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337112
((RS)-3'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(27-9-6-10-29(18-27)25-13-15-26(16-14-25)31(35)36)37-21-30(34)20-33-32(2,3)19-23-11-12-24-7-4-5-8-28(24)17-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337105
((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r| Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1 | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337115
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C28H31ClFNO4/c1-18(23-6-4-5-7-24(23)20-9-11-21(12-10-20)27(33)34)35-17-22(32)16-31-28(2,3)15-19-8-13-25(29)26(30)14-19/h4-14,18,22,31-32H,15-17H2,1-3H3,(H,33,34)/t18-,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50320009
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337104
(3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r| Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614981
(CHEMBL5284493)Show SMILES C[C@H]([C@H](NC(=O)[C@@H](F)c1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50320009
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50109398
(CHEMBL2381968)Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337107
((RS)-3-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-10-11-20-6-3-4-7-22(20)14-19)29-17-25(30)18-33-26(21-12-13-21)23-8-5-9-24(15-23)27(31)32/h3-11,14-15,21,25-26,29-30H,12-13,16-18H2,1-2H3,(H,31,32)/t25-,26?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337105
((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r| Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337111
((RS)-4'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(24-10-12-26(13-11-24)27-14-16-28(17-15-27)31(35)36)37-21-30(34)20-33-32(2,3)19-23-8-9-25-6-4-5-7-29(25)18-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50337103
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta2 adrenergic receptor |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337110
(2-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CC(O)=O |r| Show InChI InChI=1S/C27H33NO4/c1-19(25-11-7-6-10-23(25)15-26(30)31)32-18-24(29)17-28-27(2,3)16-20-12-13-21-8-4-5-9-22(21)14-20/h4-14,19,24,28-29H,15-18H2,1-3H3,(H,30,31)/t19-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614969
(CHEMBL5284304)Show SMILES C[C@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337108
((RS)-4-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-7-8-20-5-3-4-6-24(20)15-19)29-17-25(30)18-33-26(21-9-10-21)22-11-13-23(14-12-22)27(31)32/h3-8,11-15,21,25-26,29-30H,9-10,16-18H2,1-2H3,(H,31,32)/t25-,26?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337106
((RS)-2-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-11-12-20-7-3-4-8-22(20)15-19)29-17-23(30)18-33-26(21-13-14-21)24-9-5-6-10-25(24)27(31)32/h3-12,15,21,23,26,29-30H,13-14,16-18H2,1-2H3,(H,31,32)/t23-,26?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50337109
((RS)-2-(1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphthale...)Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C26H31NO4/c1-18(23-10-6-7-11-24(23)25(29)30)31-17-22(28)16-27-26(2,3)15-19-12-13-20-8-4-5-9-21(20)14-19/h4-14,18,22,27-28H,15-17H2,1-3H3,(H,29,30)/t18?,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614979
(CHEMBL5278346)Show SMILES C[C@H]([C@H](NC(=O)[C@@H](F)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614978
(CHEMBL5289954)Show SMILES C[C@H]([C@H](NC(=O)C(F)(F)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337104
(3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r| Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337104
(3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r| Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337107
((RS)-3-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-10-11-20-6-3-4-7-22(20)14-19)29-17-25(30)18-33-26(21-12-13-21)23-8-5-9-24(15-23)27(31)32/h3-11,14-15,21,25-26,29-30H,12-13,16-18H2,1-2H3,(H,31,32)/t25-,26?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337114
(2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337106
((RS)-2-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...)Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-11-12-20-7-3-4-8-22(20)15-19)29-17-23(30)18-33-26(21-13-14-21)24-9-5-6-10-25(24)27(31)32/h3-12,15,21,23,26,29-30H,13-14,16-18H2,1-2H3,(H,31,32)/t23-,26?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337103
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 238-242 (2011)
Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614966
(CHEMBL5271230)Show SMILES Cc1ccc(cc1)C(NC(=O)Cc1ccc2CCCCc2c1)C(C)(C)C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614962
(CHEMBL5273621)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(O)=O)N1CCCCCC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614965
(CHEMBL5286485)Show SMILES Cc1ccc(cc1)[C@H](CC(O)=O)NC(=O)Cc1ccc2CCCCc2c1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614963
(CHEMBL5266194) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614968
(CHEMBL5283445)Show SMILES C[C@@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614967
(CHEMBL5274849)Show SMILES Cc1ccc(cc1)C(NC(=O)Cc1ccc2CCCCc2c1)C1(CC1)C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614971
(CHEMBL5285861)Show SMILES CC[C@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614972
(CHEMBL5289579)Show SMILES C[C@H]([C@H](NC(=O)Cc1ccccc1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614977
(CHEMBL5277909)Show SMILES CO[C@@H](C(=O)N[C@@H]([C@@H](C)C(O)=O)c1ccc(C)cc1)c1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614980
(CHEMBL5286321)Show SMILES C[C@H]([C@H](NC(=O)[C@H](F)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614974
(CHEMBL5281246)Show SMILES C[C@H]([C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614970
(CHEMBL5265976)Show SMILES CC[C@@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 9.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614975
(CHEMBL5273258)Show SMILES C[C@H]([C@H](NC(=O)[C@H](O)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614976
(CHEMBL5270092)Show SMILES CO[C@H](C(=O)N[C@@H]([C@@H](C)C(O)=O)c1ccc(C)cc1)c1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614973
(CHEMBL5274045)Show SMILES C[C@H]([C@H](NC(=O)C(=O)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50614964
(CHEMBL5280279)Show SMILES Cc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)Cc1ccc2CCCCc2c1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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