Found 75 hits with Last Name = 'valentine' and Initial = 'jj' 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 |
|---|
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216194
(CHEMBL391935 | N-(2-chlorophenethyl)-N-(pyrrolidin...)Show SMILES Cc1ccccc1C1CCCN(Cc2ccc(cc2)C(=O)N(CCc2ccccc2Cl)C2CCNC2)C1 |w:31.33,7.7| Show InChI InChI=1S/C32H38ClN3O/c1-24-7-2-4-10-30(24)28-9-6-19-35(23-28)22-25-12-14-27(15-13-25)32(37)36(29-16-18-34-21-29)20-17-26-8-3-5-11-31(26)33/h2-5,7-8,10-15,28-29,34H,6,9,16-23H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127711
(CHEMBL3629719)Show SMILES C[C@@H]1N(CCC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OCC(C)(C)C |r| Show InChI InChI=1S/C24H34N4O3/c1-16-12-18(13-19-14-25-26-20(16)19)21(29)27-9-6-24(7-10-27)8-11-28(17(24)2)22(30)31-15-23(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,25,26)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127710
(CHEMBL3629720)Show SMILES C[C@H]1N(CCC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OCC(C)(C)C |r| Show InChI InChI=1S/C24H34N4O3/c1-16-12-18(13-19-14-25-26-20(16)19)21(29)27-9-6-24(7-10-27)8-11-28(17(24)2)22(30)31-15-23(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,25,26)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216201
(CHEMBL233987 | N-(2-methoxyphenethyl)-4-(6-aza-bic...)Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CC3CC2CCC3)cc1 |w:11.11,25.27,27.30,THB:22:23:26:30.29.28| Show InChI InChI=1S/C28H37N3O2/c1-33-27-8-3-2-6-23(27)14-16-31(26-13-15-29-18-26)28(32)24-11-9-21(10-12-24)19-30-20-22-5-4-7-25(30)17-22/h2-3,6,8-12,22,25-26,29H,4-5,7,13-20H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216180
(CHEMBL233799 | N-(2-methoxyphenethyl)-N-(pyrrolidi...)Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)c2ccccc2C)cc1 |w:11.11,27.31| Show InChI InChI=1S/C33H41N3O2/c1-25-8-3-5-11-31(25)29-10-7-20-35(24-29)23-26-13-15-28(16-14-26)33(37)36(30-17-19-34-22-30)21-18-27-9-4-6-12-32(27)38-2/h3-6,8-9,11-16,29-30,34H,7,10,17-24H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127718
(CHEMBL3629713)Show SMILES C[C@@H](OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N4O3/c1-18-14-21(15-22-16-27-28-23(18)22)24(31)29-11-8-26(9-12-29)10-13-30(17-26)25(32)33-19(2)20-6-4-3-5-7-20/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,27,28)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216199
(4-(2-aza-bicyclo[2.2.1]heptan-2-ylmethyl)-N-(2-met...)Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CC3CCC2C3)cc1 |w:11.11,25.27,28.29,TLB:22:23:27.26:29| Show InChI InChI=1S/C27H35N3O2/c1-32-26-5-3-2-4-22(26)13-15-30(25-12-14-28-17-25)27(31)23-9-6-20(7-10-23)18-29-19-21-8-11-24(29)16-21/h2-7,9-10,21,24-25,28H,8,11-19H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216188
(CHEMBL233422 | N-(2-methoxyphenethyl)-4-(((1S,2S)-...)Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN[C@H]2CCCC[C@@H]2O)cc1 |w:11.11| Show InChI InChI=1S/C27H37N3O3/c1-33-26-9-5-2-6-21(26)15-17-30(23-14-16-28-19-23)27(32)22-12-10-20(11-13-22)18-29-24-7-3-4-8-25(24)31/h2,5-6,9-13,23-25,28-29,31H,3-4,7-8,14-19H2,1H3/t23?,24-,25-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127711
(CHEMBL3629719)Show SMILES C[C@@H]1N(CCC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OCC(C)(C)C |r| Show InChI InChI=1S/C24H34N4O3/c1-16-12-18(13-19-14-25-26-20(16)19)21(29)27-9-6-24(7-10-27)8-11-28(17(24)2)22(30)31-15-23(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,25,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216193
(CHEMBL233609 | N-(2-methoxyphenethyl)-4-(((S)-2-(m...)Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1 |w:28.30| Show InChI InChI=1S/C27H37N3O3/c1-32-20-25-7-5-16-29(25)19-21-9-11-23(12-10-21)27(31)30(24-13-15-28-18-24)17-14-22-6-3-4-8-26(22)33-2/h3-4,6,8-12,24-25,28H,5,7,13-20H2,1-2H3/t24?,25-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127712
(CHEMBL3629718)Show SMILES C[C@@H]1CC2(CN1C(=O)OCC(C)(C)C)CCN(C(C)C2)C(=O)c1cc(C)c2[nH]ncc2c1 |r| Show InChI InChI=1S/C25H36N4O3/c1-16-9-19(10-20-13-26-27-21(16)20)22(30)28-8-7-25(11-17(28)2)12-18(3)29(14-25)23(31)32-15-24(4,5)6/h9-10,13,17-18H,7-8,11-12,14-15H2,1-6H3,(H,26,27)/t17?,18-,25?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216197
(CHEMBL233610 | N-(2-methoxyphenethyl)-4-(((S)-2-(m...)Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)C(N)=O)cc1 |w:11.11,27.31| Show InChI InChI=1S/C27H36N4O3/c1-34-25-7-3-2-5-21(25)13-16-31(24-12-14-29-17-24)27(33)22-10-8-20(9-11-22)18-30-15-4-6-23(19-30)26(28)32/h2-3,5,7-11,23-24,29H,4,6,12-19H2,1H3,(H2,28,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216181
((R)-N-(2-methoxyphenethyl)-4-((diethylamino)methyl...)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)[C@@H]1CCNC1 Show InChI InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127710
(CHEMBL3629720)Show SMILES C[C@H]1N(CCC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OCC(C)(C)C |r| Show InChI InChI=1S/C24H34N4O3/c1-16-12-18(13-19-14-25-26-20(16)19)21(29)27-9-6-24(7-10-27)8-11-28(17(24)2)22(30)31-15-23(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,25,26)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127720
(CHEMBL3629711)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1 Show InChI InChI=1S/C23H32N4O3/c1-16-11-17(12-18-13-24-25-19(16)18)20(28)26-8-5-23(6-9-26)7-10-27(14-23)21(29)30-15-22(2,3)4/h11-13H,5-10,14-15H2,1-4H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127716
(CHEMBL3629715)Show SMILES CC1N(CC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H30N4O3/c1-14-10-16(11-17-12-23-24-18(14)17)19(27)25-8-6-22(7-9-25)13-26(15(22)2)20(28)29-21(3,4)5/h10-12,15H,6-9,13H2,1-5H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216204
(CHEMBL394028 | N-(2-methoxyphenethyl)-4-(piperidin...)Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCCC2)cc1 |w:11.11| Show InChI InChI=1S/C26H35N3O2/c1-31-25-8-4-3-7-22(25)14-18-29(24-13-15-27-19-24)26(30)23-11-9-21(10-12-23)20-28-16-5-2-6-17-28/h3-4,7-12,24,27H,2,5-6,13-20H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127718
(CHEMBL3629713)Show SMILES C[C@@H](OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N4O3/c1-18-14-21(15-22-16-27-28-23(18)22)24(31)29-11-8-26(9-12-29)10-13-30(17-26)25(32)33-19(2)20-6-4-3-5-7-20/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,27,28)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127723
(CHEMBL3629708)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OCC(C)(C)C)CC1 Show InChI InChI=1S/C22H30N4O3/c1-15-9-16(10-17-11-23-24-18(15)17)19(27)25-7-5-22(6-8-25)12-26(13-22)20(28)29-14-21(2,3)4/h9-11H,5-8,12-14H2,1-4H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216206
(CHEMBL393989 | N-(2-methoxyphenethyl)-4-(benzyloxy...)Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(OCc2ccccc2)cc1 |w:11.11| Show InChI InChI=1S/C27H30N2O3/c1-31-26-10-6-5-9-22(26)16-18-29(24-15-17-28-19-24)27(30)23-11-13-25(14-12-23)32-20-21-7-3-2-4-8-21/h2-14,24,28H,15-20H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127722
(CHEMBL3629709)Show SMILES C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-12-20(13-21-14-26-27-22(17)21)23(30)28-10-8-25(9-11-28)15-29(16-25)24(31)32-18(2)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216191
(CHEMBL232587 | N-(2,6-dichlorophenethyl)-4-((dieth...)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1c(Cl)cccc1Cl)C1CCNC1 |w:25.26| Show InChI InChI=1S/C24H31Cl2N3O/c1-3-28(4-2)17-18-8-10-19(11-9-18)24(30)29(20-12-14-27-16-20)15-13-21-22(25)6-5-7-23(21)26/h5-11,20,27H,3-4,12-17H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127750
(CHEMBL3629705)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)24-7-5-21(6-8-24)12-25(13-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127752
(CHEMBL3629703)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C22H30N4O3/c1-15-11-16(12-17-13-23-24-18(15)17)19(27)25-8-5-22(6-9-25)7-10-26(14-22)20(28)29-21(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216187
(CHEMBL232777 | N-(3-chlorophenethyl)-4-(benzyloxy)...)Show SMILES Clc1cccc(CCN(C2CCNC2)C(=O)c2ccc(OCc3ccccc3)cc2)c1 |w:9.8| Show InChI InChI=1S/C26H27ClN2O2/c27-23-8-4-7-20(17-23)14-16-29(24-13-15-28-18-24)26(30)22-9-11-25(12-10-22)31-19-21-5-2-1-3-6-21/h1-12,17,24,28H,13-16,18-19H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216196
(CHEMBL231776 | N-(2-methoxyphenethyl)-4-((diethyla...)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1 |w:25.26| Show InChI InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216183
(CHEMBL233573 | N-(2-chlorophenethyl)-4-(benzyloxy)...)Show SMILES Clc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(OCc2ccccc2)cc1 |w:10.10| Show InChI InChI=1S/C26H27ClN2O2/c27-25-9-5-4-8-21(25)15-17-29(23-14-16-28-18-23)26(30)22-10-12-24(13-11-22)31-19-20-6-2-1-3-7-20/h1-13,23,28H,14-19H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127750
(CHEMBL3629705)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)24-7-5-21(6-8-24)12-25(13-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127720
(CHEMBL3629711)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1 Show InChI InChI=1S/C23H32N4O3/c1-16-11-17(12-18-13-24-25-19(16)18)20(28)26-8-5-23(6-9-26)7-10-27(14-23)21(29)30-15-22(2,3)4/h11-13H,5-10,14-15H2,1-4H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127751
(CHEMBL3629704)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)25-12-21(13-25)5-7-24(8-6-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216207
(CHEMBL233572 | N-(2-chlorophenethyl)-4-((diethylam...)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCNC1 |w:24.25| Show InChI InChI=1S/C24H32ClN3O/c1-3-27(4-2)18-19-9-11-21(12-10-19)24(29)28(22-13-15-26-17-22)16-14-20-7-5-6-8-23(20)25/h5-12,22,26H,3-4,13-18H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127722
(CHEMBL3629709)Show SMILES C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-12-20(13-21-14-26-27-22(17)21)23(30)28-10-8-25(9-11-28)15-29(16-25)24(31)32-18(2)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127716
(CHEMBL3629715)Show SMILES CC1N(CC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H30N4O3/c1-14-10-16(11-17-12-23-24-18(14)17)19(27)25-8-6-22(7-9-25)13-26(15(22)2)20(28)29-21(3,4)5/h10-12,15H,6-9,13H2,1-5H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216208
((S)-N-(2-methoxyphenethyl)-4-((diethylamino)methyl...)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)[C@H]1CCNC1 Show InChI InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127753
(CHEMBL3629702)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(C1)CCN(CC2)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H30N4O3/c1-15-11-16(12-17-13-23-24-18(15)17)19(27)26-10-7-22(14-26)5-8-25(9-6-22)20(28)29-21(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127752
(CHEMBL3629703)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C22H30N4O3/c1-15-11-16(12-17-13-23-24-18(15)17)19(27)25-8-5-22(6-9-25)7-10-26(14-22)20(28)29-21(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127712
(CHEMBL3629718)Show SMILES C[C@@H]1CC2(CN1C(=O)OCC(C)(C)C)CCN(C(C)C2)C(=O)c1cc(C)c2[nH]ncc2c1 |r| Show InChI InChI=1S/C25H36N4O3/c1-16-9-19(10-20-13-26-27-21(16)20)22(30)28-8-7-25(11-17(28)2)12-18(3)29(14-25)23(31)32-15-24(4,5)6/h9-10,13,17-18H,7-8,11-12,14-15H2,1-6H3,(H,26,27)/t17?,18-,25?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50434377
(CHEMBL2387002)Show SMILES CC(C)n1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H21ClN6O2/c1-13(2)30-11-18(19-21(25)26-12-27-22(19)30)20(31)14-4-3-5-17(10-14)29-23(32)28-16-8-6-15(24)7-9-16/h3-13H,1-2H3,(H2,25,26,27)(H2,28,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR (unknown origin) |
Bioorg Med Chem Lett 23: 3059-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.012
BindingDB Entry DOI: 10.7270/Q24J0GGF |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127723
(CHEMBL3629708)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OCC(C)(C)C)CC1 Show InChI InChI=1S/C22H30N4O3/c1-15-9-16(10-17-11-23-24-18(15)17)19(27)25-7-5-22(6-8-25)12-26(13-22)20(28)29-14-21(2,3)4/h9-11H,5-8,12-14H2,1-4H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216186
(CHEMBL232577 | N-(2-chlorophenethyl)-4-isopropoxy-...)Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCNC1 |w:22.23| Show InChI InChI=1S/C22H27ClN2O2/c1-16(2)27-20-9-7-18(8-10-20)22(26)25(19-11-13-24-15-19)14-12-17-5-3-4-6-21(17)23/h3-10,16,19,24H,11-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Rattus norvegicus) | BDBM50280413
(5'-bromo-1'-(3,4-dichlorobenzyl)spiro[tetrahydro-1...)Show SMILES Clc1ccc(CN2C(=O)C3(NC(=O)NC3=O)c3cc(Br)cnc23)cc1Cl Show InChI InChI=1S/C16H9BrCl2N4O3/c17-8-4-9-12(20-5-8)23(6-7-1-2-10(18)11(19)3-7)14(25)16(9)13(24)21-15(26)22-16/h1-5H,6H2,(H2,21,22,24,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 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
Compound was evaluated for displacement of radiolabelled [I-125]GRP from rat brain receptor; 1.5-3 microM |
Bioorg Med Chem Lett 2: 333-338 (1992)
Article DOI: 10.1016/S0960-894X(01)80213-4
BindingDB Entry DOI: 10.7270/Q2W66KP1 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Rattus norvegicus) | BDBM50280412
(2-{3-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-...)Show SMILES CCN1C(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c2cc(OCc3ccccc3C(O)=O)ccc12 Show InChI InChI=1S/C33H37NO5/c1-8-34-28-14-13-22(39-19-21-11-9-10-12-23(21)31(37)38)18-24(28)25(30(34)36)15-20-16-26(32(2,3)4)29(35)27(17-20)33(5,6)7/h9-18,35H,8,19H2,1-7H3,(H,37,38)/b25-15+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 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
Compound was evaluated for displacement of radiolabelled [I-125]GRP from rat brain receptor; 1.5-3 microM |
Bioorg Med Chem Lett 2: 333-338 (1992)
Article DOI: 10.1016/S0960-894X(01)80213-4
BindingDB Entry DOI: 10.7270/Q2W66KP1 |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127721
(CHEMBL3629710)Show SMILES CC(C)OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1 Show InChI InChI=1S/C21H28N4O3/c1-14(2)28-20(27)25-9-6-21(13-25)4-7-24(8-5-21)19(26)16-10-15(3)18-17(11-16)12-22-23-18/h10-12,14H,4-9,13H2,1-3H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216203
(4-diethylaminomethyl-N-pyrrolidin-3-yl-N-(2-o-toly...)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1C)C1CCNC1 |w:24.25| Show InChI InChI=1S/C25H35N3O/c1-4-27(5-2)19-21-10-12-23(13-11-21)25(29)28(24-14-16-26-18-24)17-15-22-9-7-6-8-20(22)3/h6-13,24,26H,4-5,14-19H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127719
(CHEMBL3629712)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCc2ccccc2)CC1 Show InChI InChI=1S/C25H28N4O3/c1-18-13-20(14-21-15-26-27-22(18)21)23(30)28-10-7-25(8-11-28)9-12-29(17-25)24(31)32-16-19-5-3-2-4-6-19/h2-6,13-15H,7-12,16-17H2,1H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50127713
(CHEMBL3629717)Show SMILES C[C@H]1CC2(CN1C(=O)OCC(C)(C)C)CCN(C(C)C2)C(=O)c1cc(C)c2[nH]ncc2c1 |r| Show InChI InChI=1S/C25H36N4O3/c1-16-9-19(10-20-13-26-27-21(16)20)22(30)28-8-7-25(11-17(28)2)12-18(3)29(14-25)23(31)32-15-24(4,5)6/h9-10,13,17-18H,7-8,11-12,14-15H2,1-6H3,(H,26,27)/t17?,18-,25?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil... |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127753
(CHEMBL3629702)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(C1)CCN(CC2)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H30N4O3/c1-15-11-16(12-17-13-23-24-18(15)17)19(27)26-10-7-22(14-26)5-8-25(9-6-22)20(28)29-21(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127751
(CHEMBL3629704)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)25-12-21(13-25)5-7-24(8-6-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Membrane-bound transcription factor site-1 protease
(Homo sapiens (Human)) | BDBM50216190
(CHEMBL232776 | N-(4-chlorophenethyl)-4-((diethylam...)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccc(Cl)cc1)C1CCNC1 |w:24.25| Show InChI InChI=1S/C24H32ClN3O/c1-3-27(4-2)18-20-5-9-21(10-6-20)24(29)28(23-13-15-26-17-23)16-14-19-7-11-22(25)12-8-19/h5-12,23,26H,3-4,13-18H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human S1P expressed in CHOK1 cells |
Bioorg Med Chem Lett 17: 4411-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.031
BindingDB Entry DOI: 10.7270/Q26M36JG |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50127719
(CHEMBL3629712)Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCc2ccccc2)CC1 Show InChI InChI=1S/C25H28N4O3/c1-18-13-20(14-21-15-26-27-22(18)21)23(30)28-10-7-25(8-11-28)9-12-29(17-25)24(31)32-16-19-5-3-2-4-6-19/h2-6,13-15H,7-12,16-17H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 5352-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R |
More data for this
Ligand-Target Pair | |
Search and Browse
