Found 257 hits with Last Name = 'janssen' and Initial = 'b' 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 |
|---|
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605601
(CHEMBL5184138)Show SMILES Fc1cccc(COCc2ccc3S[C@@H](COc3c2)c2c[nH]c(=O)c(=O)[nH]2)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605598
(CHEMBL5188193)Show SMILES C[C@]1(COc2cc(Cl)ccc2S1)c1c[nH]c(=O)c(=O)[nH]1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605597
(CHEMBL5204161)Show SMILES C[C@]1(COc2cc(ccc2S1)C(F)(F)F)c1c[nH]c(=O)c(=O)[nH]1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50264866
(4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...)Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COT by HTRF-based assay |
Bioorg Med Chem Lett 18: 4952-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605555
(CHEMBL5173250) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605593
(CHEMBL5179642)Show SMILES FC(F)c1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM210802
(US10463663, Example 40 | US11129828, Example 40 | ...)Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605599
(CHEMBL5178413)Show SMILES C[C@]1(COc2cc(ccc2S1)C#N)c1c[nH]c(=O)c(=O)[nH]1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM28043
(7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...)Show SMILES Nc1ncc(-c2cccc(c2)-c2ccccc2)c2cc(sc12)C(O)=O Show InChI InChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated... |
Bioorg Med Chem Lett 19: 1722-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.088
BindingDB Entry DOI: 10.7270/Q2VH5M4P |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273805
(CHEMBL4127623)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cccnc3c2)C1 |r,c:18| Show InChI InChI=1S/C29H28N4O2/c34-27(23-8-9-23)32-15-11-19(17-32)18-33-26(31-29(12-13-29)28(33)35)22-6-3-20(4-7-22)24-10-5-21-2-1-14-30-25(21)16-24/h1-7,10,14,16,19,23H,8-9,11-13,15,17-18H2/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605594
(CHEMBL5186374)Show SMILES O=c1[nH]cc([nH]c1=O)[C@@H]1COc2cc(ccc2S1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273870
(CHEMBL4126247)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cnccc3c2)C1 |r,c:18| Show InChI InChI=1S/C29H28N4O2/c34-27(22-5-6-22)32-14-10-19(17-32)18-33-26(31-29(11-12-29)28(33)35)21-3-1-20(2-4-21)23-7-8-25-16-30-13-9-24(25)15-23/h1-4,7-9,13,15-16,19,22H,5-6,10-12,14,17-18H2/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605592
(CHEMBL5179643)Show SMILES Clc1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273886
(CHEMBL4129012)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC3(CC3)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1 |r,t:16| Show InChI InChI=1S/C28H28FN5O2/c1-32-24-7-5-19(12-21(24)14-30-32)20-4-6-22(23(29)13-20)25-31-28(9-10-28)27(36)34(25)16-17-8-11-33(15-17)26(35)18-2-3-18/h4-7,12-14,17-18H,2-3,8-11,15-16H2,1H3/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273809
(CHEMBL4127804)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc(cc2)-c2ccncc2)C1 |r,c:18| Show InChI InChI=1S/C31H30N4O2/c36-29(27-9-10-27)34-18-13-21(19-34)20-35-28(33-31(14-15-31)30(35)37)26-7-5-23(6-8-26)22-1-3-24(4-2-22)25-11-16-32-17-12-25/h1-8,11-12,16-17,21,27H,9-10,13-15,18-20H2/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605589
(CHEMBL5196542)Show SMILES FC(F)(F)c1ccc2SC(COc2c1)c1c[nH]c(=O)c(=O)[nH]1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273869
(CHEMBL4127964)Show SMILES Fc1ccc2cc(ccc2c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:20| Show InChI InChI=1S/C30H28FN3O2/c31-26-10-9-24-15-23(7-8-25(24)16-26)20-1-3-21(4-2-20)27-32-30(12-13-30)29(36)34(27)18-19-11-14-33(17-19)28(35)22-5-6-22/h1-4,7-10,15-16,19,22H,5-6,11-14,17-18H2/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605595
(CHEMBL5174518)Show SMILES CS(=O)(=O)c1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273831
(CHEMBL4128143)Show SMILES CC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19| Show InChI InChI=1S/C29H29N3O3/c1-28(10-11-28)26(33)31-14-8-19(17-31)18-32-25(30-29(12-13-29)27(32)34)21-4-2-20(3-5-21)22-6-7-24-23(16-22)9-15-35-24/h2-7,9,15-16,19H,8,10-14,17-18H2,1H3/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273812
(CHEMBL4125752)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605552
(CHEMBL5204839) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273900
(CHEMBL4128261)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19| Show InChI InChI=1S/C28H29N5O2/c1-31-24-9-8-22(14-23(24)15-29-31)19-2-4-20(5-3-19)25-30-28(11-12-28)27(35)33(25)17-18-10-13-32(16-18)26(34)21-6-7-21/h2-5,8-9,14-15,18,21H,6-7,10-13,16-17H2,1H3/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273872
(CHEMBL4129575)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3[nH]ncc3c2)C1 |r,c:18| Show InChI InChI=1S/C27H27N5O2/c33-25(20-5-6-20)31-12-9-17(15-31)16-32-24(29-27(10-11-27)26(32)34)19-3-1-18(2-4-19)21-7-8-23-22(13-21)14-28-30-23/h1-4,7-8,13-14,17,20H,5-6,9-12,15-16H2,(H,28,30)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273901
(CHEMBL4129431)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2cccc3[nH]ncc23)C1 |r,c:18| Show InChI InChI=1S/C27H27N5O2/c33-25(20-8-9-20)31-13-10-17(15-31)16-32-24(29-27(11-12-27)26(32)34)19-6-4-18(5-7-19)21-2-1-3-23-22(21)14-28-30-23/h1-7,14,17,20H,8-13,15-16H2,(H,28,30)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273843
(CHEMBL4126768)Show SMILES OC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19| Show InChI InChI=1S/C28H27N3O4/c32-25-27(9-10-27)29-24(31(25)17-18-7-13-30(16-18)26(33)28(34)11-12-28)20-3-1-19(2-4-20)21-5-6-23-22(15-21)8-14-35-23/h1-6,8,14-15,18,34H,7,9-13,16-17H2/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50264865
((4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl...)Show SMILES OCc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H15N5O2S/c27-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)28-18-10-22-11-20-17(18)9-19(29-20)21-23-25-26-24-21/h1-11,27H,12H2,(H,23,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COT by HTRF-based assay |
Bioorg Med Chem Lett 18: 4952-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273846
(CHEMBL4126984)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2c[nH]c3ccccc23)C1 |r,c:18| Show InChI InChI=1S/C28H28N4O2/c33-26(21-9-10-21)31-14-11-18(16-31)17-32-25(30-28(12-13-28)27(32)34)20-7-5-19(6-8-20)23-15-29-24-4-2-1-3-22(23)24/h1-8,15,18,21,29H,9-14,16-17H2/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273871
(CHEMBL4126126)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3scnc3c2)C1 |r,c:18| Show InChI InChI=1S/C27H26N4O2S/c32-25(20-5-6-20)30-12-9-17(14-30)15-31-24(29-27(10-11-27)26(31)33)19-3-1-18(2-4-19)21-7-8-23-22(13-21)28-16-34-23/h1-4,7-8,13,16-17,20H,5-6,9-12,14-15H2/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605575
(CHEMBL5180296) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273797
(CHEMBL4126304)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:18| Show InChI InChI=1S/C28H27N3O3/c32-26(21-5-6-21)30-13-9-18(16-30)17-31-25(29-28(11-12-28)27(31)33)20-3-1-19(2-4-20)22-7-8-24-23(15-22)10-14-34-24/h1-4,7-8,10,14-15,18,21H,5-6,9,11-13,16-17H2/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605586
(CHEMBL5184060) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM28037
(4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxyl...)Show InChI InChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated... |
Bioorg Med Chem Lett 19: 1722-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.088
BindingDB Entry DOI: 10.7270/Q2VH5M4P |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273798
(CHEMBL4129046)Show SMILES Clc1cccc(c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:15| Show InChI InChI=1S/C26H26ClN3O2/c27-22-3-1-2-21(14-22)18-4-6-19(7-5-18)23-28-26(11-12-26)25(32)30(23)16-17-10-13-29(15-17)24(31)20-8-9-20/h1-7,14,17,20H,8-13,15-16H2/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50264773
(4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C23H18N6O2S/c1-29(2)23(30)16-5-3-14(4-6-16)15-7-9-17(10-8-15)31-19-12-24-13-21-18(19)11-20(32-21)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
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 |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COT by HTRF-based assay |
Bioorg Med Chem Lett 18: 4952-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273807
(CHEMBL4127608)Show SMILES Cc1cc(ccc1C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)-c1ccc2n(C)ncc2c1 |r,t:8| Show InChI InChI=1S/C29H31N5O2/c1-18-13-21(22-6-8-25-23(14-22)15-30-32(25)2)5-7-24(18)26-31-29(10-11-29)28(36)34(26)17-19-9-12-33(16-19)27(35)20-3-4-20/h5-8,13-15,19-20H,3-4,9-12,16-17H2,1-2H3/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605600
(CHEMBL5179598)Show SMILES C[C@]1(COc2cc(ccc2S1)S(C)(=O)=O)c1c[nH]c(=O)c(=O)[nH]1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273812
(CHEMBL4125752)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human FASN KR-domain after 20 mins in presence of NADPH |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605585
(CHEMBL5208196) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273892
(CHEMBL4127027)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1CC1CN(C1)C(=O)C1CC1 |t:19| Show InChI InChI=1S/C27H27N5O2/c1-30-23-9-8-21(12-22(23)13-28-30)18-2-4-19(5-3-18)24-29-27(10-11-27)26(34)32(24)16-17-14-31(15-17)25(33)20-6-7-20/h2-5,8-9,12-13,17,20H,6-7,10-11,14-16H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605576
(CHEMBL5188286) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605577
(CHEMBL5191702) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273836
(CHEMBL4129242)Show SMILES O=C([C@@H]1CCCO1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:20| Show InChI InChI=1S/C29H29N3O4/c33-27(25-2-1-14-35-25)31-13-9-19(17-31)18-32-26(30-29(11-12-29)28(32)34)21-5-3-20(4-6-21)22-7-8-24-23(16-22)10-15-36-24/h3-8,10,15-16,19,25H,1-2,9,11-14,17-18H2/t19-,25+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM28039
(5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H...)Show SMILES c1c(sc2cncc(-c3cccc(c3)-c3ccccc3)c12)-c1nnn[nH]1 Show InChI InChI=1S/C20H13N5S/c1-2-5-13(6-3-1)14-7-4-8-15(9-14)17-11-21-12-19-16(17)10-18(26-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated... |
Bioorg Med Chem Lett 19: 1722-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.088
BindingDB Entry DOI: 10.7270/Q2VH5M4P |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605581
(CHEMBL5183719)Show SMILES FS(F)(F)(F)(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605579
(CHEMBL5179752)Show SMILES CS(=O)(=O)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273890
(CHEMBL4129240)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CCCC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19| Show InChI InChI=1S/C30H33N5O2/c1-33-26-11-10-24(16-25(26)17-31-33)21-4-6-22(7-5-21)27-32-30(13-2-3-14-30)29(37)35(27)19-20-12-15-34(18-20)28(36)23-8-9-23/h4-7,10-11,16-17,20,23H,2-3,8-9,12-15,18-19H2,1H3/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605588
(CHEMBL5201918) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605578
(CHEMBL5192292)Show SMILES CS(=O)(=O)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50265350
(4-(4'-chlorobiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl)...)Show SMILES Clc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C20H12ClN5OS/c21-14-5-1-12(2-6-14)13-3-7-15(8-4-13)27-17-10-22-11-19-16(17)9-18(28-19)20-23-25-26-24-20/h1-11H,(H,23,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COT by HTRF-based assay |
Bioorg Med Chem Lett 18: 4952-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH |
More data for this
Ligand-Target Pair | |
D-amino-acid oxidase
(Homo sapiens (Human)) | BDBM50605571
(CHEMBL5173262) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7 |
More data for this
Ligand-Target Pair | |
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