Found 38 hits with Last Name = 'castrodad' 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338523
(CHEMBL1683578 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C16H14F3N5O/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338524
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)13-8-25(9-21-13)7-10-2-3-12(17)11(6-10)16(18,19)20/h2-6,8-9H,7H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
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
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
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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| PDB
Article
PubMed
| 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 | 
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
UniProtKB/SwissProt
antibodypedia
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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 |
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
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338525
(CHEMBL1683580 | N-(2-methyl-2H-1,2,3-triazol-4-yl)...)Show SMILES Cn1ncc(NC(=O)c2cn(Cc3cccc(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C15H13F3N6O/c1-23-20-6-13(22-23)21-14(25)12-8-24(9-19-12)7-10-3-2-4-11(5-10)15(16,17)18/h2-6,8-9H,7H2,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338521
(CHEMBL1683576 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1 Show InChI InChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338532
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(c3)C(F)(F)F)nn2)n1 Show InChI InChI=1S/C15H12ClF3N6O/c1-24-5-4-13(22-24)20-14(26)12-8-25(23-21-12)7-9-2-3-11(16)10(6-9)15(17,18)19/h2-6,8H,7H2,1H3,(H,20,22,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338526
(1-(3-chlorobenzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H...)Show InChI InChI=1S/C15H14ClN5O/c1-20-6-5-14(19-20)18-15(22)13-9-21(10-17-13)8-11-3-2-4-12(16)7-11/h2-7,9-10H,8H2,1H3,(H,18,19,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338531
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1ccc(NC(=O)c2cnn(Cc3ccc(Cl)c(c3)C(F)(F)F)c2)n1 Show InChI InChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)11-7-21-25(9-11)8-10-2-3-13(17)12(6-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338527
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1cnc(NC(=O)c2cn(Cc3ccc(Cl)c(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C15H12ClF3N6O/c1-24-7-21-14(23-24)22-13(26)12-6-25(8-20-12)5-9-2-3-11(16)10(4-9)15(17,18)19/h2-4,6-8H,5H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338520
(1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...)Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 assessed as formation of deuterated oleoylCoA by HTMS assay |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50338521
(CHEMBL1683576 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1 Show InChI InChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SCD1 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338520
(1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...)Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338528
(1-((1-(cyclopropylmethyl)cyclobutyl)methyl)-N-(1-m...)Show InChI InChI=1S/C17H23N5O/c1-21-8-5-15(20-21)19-16(23)14-10-22(12-18-14)11-17(6-2-7-17)9-13-3-4-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,19,20,23) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338533
(CHEMBL1683588 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2ncn(Cc3cccc(c3)C(F)(F)F)n2)n1 Show InChI InChI=1S/C15H13F3N6O/c1-23-6-5-12(21-23)20-14(25)13-19-9-24(22-13)8-10-3-2-4-11(7-10)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21,25) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338529
(1-(2-chlorophenethyl)-N-(1-methyl-1H-pyrazol-3-yl)...)Show InChI InChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
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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| n/a | n/a | 146 | 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 | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50338520
(1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...)Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20) | PDB
KEGG
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| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SCD1 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
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
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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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PubMed
| 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338534
(CHEMBL1683589 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2ccn(Cc3cccc(c3)C(F)(F)F)n2)n1 Show InChI InChI=1S/C16H14F3N5O/c1-23-7-6-14(22-23)20-15(25)13-5-8-24(21-13)10-11-3-2-4-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,22,25) | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338530
(CHEMBL1683585 | N-(2-acetamidoethyl)-1-(4-fluoro-3...)Show SMILES CC(=O)NCCNC(=O)c1cn(Cc2ccc(F)c(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C16H16F4N4O2/c1-10(25)21-4-5-22-15(26)14-8-24(9-23-14)7-11-2-3-13(17)12(6-11)16(18,19)20/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25)(H,22,26) | PDB
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PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Homo sapiens (Human)) | BDBM50346040
(6-(3-{(R)-3-[2-(3-Fluoro-4-methyl-phenyl)-1,1-dime...)Show SMILES Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(c2)C2CC3CC2C2C3C2C(O)=O)cc1F |r| Show InChI InChI=1S/C29H36FNO4/c1-16-7-8-17(9-24(16)30)13-29(2,3)31-14-20(32)15-35-21-6-4-5-18(10-21)22-11-19-12-23(22)26-25(19)27(26)28(33)34/h4-10,19-20,22-23,25-27,31-32H,11-15H2,1-3H3,(H,33,34)/t19?,20-,22?,23?,25?,26?,27?/m1/s1 | PDB
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| 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 | |
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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| 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
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PubMed
| n/a | n/a | 2.89E+4 | 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 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
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MCE
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| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
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