Found 373 hits with Last Name = 'hubbard' and Initial = 'bk' 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 |
|---|
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499290
(CHEMBL3734797)Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499298
(CHEMBL3734847)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@H]2C[C@@H]2c2nc(C)no2)c2CN(CCc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H35N5O4/c1-17-31-27(38-33-17)24-14-23(24)26(35)30-15-19-9-10-21(18-7-6-8-20(13-18)37-5)22-11-12-34(16-25(19)22)28(36)32-29(2,3)4/h6-10,13,23-24H,11-12,14-16H2,1-5H3,(H,30,35)(H,32,36)/t23-,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499292
(CHEMBL3734764)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H37N3O3/c1-32(2,3)34-31(37)35-16-15-26-25(22-11-8-12-24(17-22)38-4)14-13-23(29(26)20-35)19-33-30(36)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,36)(H,34,37)/t27-,28+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239481
(CHEMBL4061308)Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33) | PDB
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 |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239482
(CHEMBL1683001)Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C28H24N4O3/c1-16-13-18(7-12-25(33)34)14-17(2)26(16)27-30-22-10-8-20(15-23(22)31-27)28(35)32-24-11-9-19-5-3-4-6-21(19)29-24/h3-6,8-11,13-15H,7,12H2,1-2H3,(H,30,31)(H,33,34)(H,29,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239480
(CHEMBL4074410)Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CC(C)(C)C(O)=O)cc1C Show InChI InChI=1S/C29H28N4O4/c1-16-12-18(15-29(3,4)28(34)35)13-17(2)24(16)25-30-22-11-8-20(14-23(22)31-25)27-33-32-26(37-27)19-6-9-21(36-5)10-7-19/h6-14H,15H2,1-5H3,(H,30,31)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239484
(CHEMBL4103025)Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H14Cl2N4O2/c1-29-14-8-5-12(6-9-14)21-27-28-22(30-21)13-7-10-17-18(11-13)26-20(25-17)19-15(23)3-2-4-16(19)24/h2-11H,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50499286
(CHEMBL3735388)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(C)=O |r| Show InChI InChI=1S/C29H30N2O3/c1-19(32)31-14-13-25-24(21-9-6-10-23(15-21)34-2)12-11-22(28(25)18-31)17-30-29(33)27-16-26(27)20-7-4-3-5-8-20/h3-12,15,26-27H,13-14,16-18H2,1-2H3,(H,30,33)/t26-,27+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50388923
(CHEMBL2063283)Show SMILES Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(CCC(O)=O)cc2C)cc1C Show InChI InChI=1S/C27H27N3O3/c1-15-5-8-21(13-16(15)2)28-27(33)20-7-9-22-23(14-20)30-26(29-22)25-17(3)11-19(12-18(25)4)6-10-24(31)32/h5,7-9,11-14H,6,10H2,1-4H3,(H,28,33)(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50388921
(CHEMBL2063281)Show SMILES Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(OCC(O)=O)cc2C)cc1C Show InChI InChI=1S/C26H25N3O4/c1-14-5-7-19(9-15(14)2)27-26(32)18-6-8-21-22(12-18)29-25(28-21)24-16(3)10-20(11-17(24)4)33-13-23(30)31/h5-12H,13H2,1-4H3,(H,27,32)(H,28,29)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239483
(CHEMBL4088335)Show SMILES Cc1cc(CC(C)(C)C(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C30H28N4O3/c1-17-13-19(16-30(3,4)29(36)37)14-18(2)26(17)27-32-23-11-9-21(15-24(23)33-27)28(35)34-25-12-10-20-7-5-6-8-22(20)31-25/h5-15H,16H2,1-4H3,(H,32,33)(H,36,37)(H,31,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50388924
(CHEMBL2063284)Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C29H31N3O3/c1-17-14-19(6-13-25(33)34)15-18(2)26(17)27-31-23-12-7-20(16-24(23)32-27)28(35)30-22-10-8-21(9-11-22)29(3,4)5/h7-12,14-16H,6,13H2,1-5H3,(H,30,35)(H,31,32)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239486
(CHEMBL4062866)Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H11Cl3N4O/c22-13-7-4-11(5-8-13)20-27-28-21(29-20)12-6-9-16-17(10-12)26-19(25-16)18-14(23)2-1-3-15(18)24/h1-10H,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50388922
(CHEMBL2063282)Show SMILES Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(NCC(O)=O)cc2C)cc1C Show InChI InChI=1S/C26H26N4O3/c1-14-5-7-19(9-15(14)2)28-26(33)18-6-8-21-22(12-18)30-25(29-21)24-16(3)10-20(11-17(24)4)27-13-23(31)32/h5-12,27H,13H2,1-4H3,(H,28,33)(H,29,30)(H,31,32) | 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499289
(CHEMBL3735235)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C32H36N2O4/c1-32(2,3)38-31(36)34-16-15-26-25(22-11-8-12-24(17-22)37-4)14-13-23(29(26)20-34)19-33-30(35)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,35)/t27-,28+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM360598
(US9828369, Example 155 | methyl 3-(8-((3-(2,3- dic...)Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12 Show InChI InChI=1S/C25H19Cl2N3O3/c1-33-24(31)16-5-2-4-15(12-16)18-9-8-17(20-14-28-11-10-19(18)20)13-29-25(32)30-22-7-3-6-21(26)23(22)27/h2-12,14H,13H2,1H3,(H2,29,30,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50388920
(CHEMBL2063280)Show SMILES COc1cc(C)c(-c2nc3ccc(cc3[nH]2)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 Show InChI InChI=1S/C25H25N3O2/c1-14-6-8-19(10-15(14)2)26-25(29)18-7-9-21-22(13-18)28-24(27-21)23-16(3)11-20(30-5)12-17(23)4/h6-13H,1-5H3,(H,26,29)(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 in mouse C2C12 cells assessed as reduction in triglyceride synthesis after 2 hrs by LC/MS analysis |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239485
(CHEMBL4060245)Show SMILES Clc1ccc(cc1)-c1cnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H12Cl3N3O/c23-14-7-4-12(5-8-14)19-11-26-22(29-19)13-6-9-17-18(10-13)28-21(27-17)20-15(24)2-1-3-16(20)25/h1-11H,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499288
(CHEMBL3736485)Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C29H25NO3/c1-33-29(32)21-11-7-10-20(16-21)24-15-14-22(23-12-5-6-13-25(23)24)18-30-28(31)27-17-26(27)19-8-3-2-4-9-19/h2-16,26-27H,17-18H2,1H3,(H,30,31)/t26-,27+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50239480
(CHEMBL4074410)Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CC(C)(C)C(O)=O)cc1C Show InChI InChI=1S/C29H28N4O4/c1-16-12-18(15-29(3,4)28(34)35)13-17(2)24(16)25-30-22-11-8-20(14-23(22)31-25)27-33-32-26(37-27)19-6-9-21(36-5)10-7-19/h6-14H,15H2,1-5H3,(H,30,31)(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against purine nucleoside phosphorylase (PNPase ) |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM360543
(N-((5-(3-methoxyphenyl)isoquinolin- 8-yl)methyl)sp...)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)C2CC22CCCCC2)c2cnccc12 Show InChI InChI=1S/C26H28N2O2/c1-30-20-7-5-6-18(14-20)21-9-8-19(23-17-27-13-10-22(21)23)16-28-25(29)24-15-26(24)11-3-2-4-12-26/h5-10,13-14,17,24H,2-4,11-12,15-16H2,1H3,(H,28,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50013867
(CHEMBL3265299)Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of MCL1 (unknown origin) |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50239481
(CHEMBL4061308)Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50239479
(CHEMBL4088473)Show SMILES Clc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H12Cl3N3O/c21-12-5-7-13(8-6-12)24-20(27)11-4-9-16-17(10-11)26-19(25-16)18-14(22)2-1-3-15(18)23/h1-10H,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole... |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499297
(CHEMBL3736366)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ncccc12 |r| Show InChI InChI=1S/C27H24N2O2/c1-31-21-10-5-9-19(15-21)22-13-12-20(26-23(22)11-6-14-28-26)17-29-27(30)25-16-24(25)18-7-3-2-4-8-18/h2-15,24-25H,16-17H2,1H3,(H,29,30)/t24-,25+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50388924
(CHEMBL2063284)Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C29H31N3O3/c1-17-14-19(6-13-25(33)34)15-18(2)26(17)27-31-23-12-7-20(16-24(23)32-27)28(35)30-22-10-8-21(9-11-22)29(3,4)5/h7-12,14-16H,6,13H2,1-5H3,(H,30,35)(H,31,32)(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 in mouse C2C12 cells assessed as reduction in triglyceride synthesis after 2 hrs by LC/MS analysis |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50499297
(CHEMBL3736366)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ncccc12 |r| Show InChI InChI=1S/C27H24N2O2/c1-31-21-10-5-9-19(15-21)22-13-12-20(26-23(22)11-6-14-28-26)17-29-27(30)25-16-24(25)18-7-3-2-4-8-18/h2-15,24-25H,16-17H2,1H3,(H,29,30)/t24-,25+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50388920
(CHEMBL2063280)Show SMILES COc1cc(C)c(-c2nc3ccc(cc3[nH]2)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 Show InChI InChI=1S/C25H25N3O2/c1-14-6-8-19(10-15(14)2)26-25(29)18-7-9-21-22(13-18)28-24(27-21)23-16(3)11-20(30-5)12-17(23)4/h6-13H,1-5H3,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499295
(CHEMBL3735591)Show SMILES COc1cccc(c1)-c1ccc(NC(=O)[C@@H]2C[C@H]2c2nc(C)no2)c2cnccc12 |r| Show InChI InChI=1S/C23H20N4O3/c1-13-25-23(30-27-13)19-11-18(19)22(28)26-21-7-6-16(17-8-9-24-12-20(17)21)14-4-3-5-15(10-14)29-2/h3-10,12,18-19H,11H2,1-2H3,(H,26,28)/t18-,19-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499285
(CHEMBL3736092)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12 Show InChI InChI=1S/C24H19Cl2N3O2/c1-31-17-5-2-4-15(12-17)18-9-8-16(20-14-27-11-10-19(18)20)13-28-24(30)29-22-7-3-6-21(25)23(22)26/h2-12,14H,13H2,1H3,(H2,28,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499287
(CHEMBL3734770)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2cnccc12 |r| Show InChI InChI=1S/C27H24N2O2/c1-31-21-9-5-8-19(14-21)22-11-10-20(26-17-28-13-12-23(22)26)16-29-27(30)25-15-24(25)18-6-3-2-4-7-18/h2-14,17,24-25H,15-16H2,1H3,(H,29,30)/t24-,25+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50499285
(CHEMBL3736092)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12 Show InChI InChI=1S/C24H19Cl2N3O2/c1-31-17-5-2-4-15(12-17)18-9-8-16(20-14-27-11-10-19(18)20)13-28-24(30)29-22-7-3-6-21(25)23(22)26/h2-12,14H,13H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50499287
(CHEMBL3734770)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2cnccc12 |r| Show InChI InChI=1S/C27H24N2O2/c1-31-21-9-5-8-19(14-21)22-11-10-20(26-17-28-13-12-23(22)26)16-29-27(30)25-15-24(25)18-6-3-2-4-7-18/h2-14,17,24-25H,15-16H2,1H3,(H,29,30)/t24-,25+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1F
(Homo sapiens (Human)) | BDBM50499290
(CHEMBL3734797)Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of voltage-gated calcium channel (unknown origin) |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50239482
(CHEMBL1683001)Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C28H24N4O3/c1-16-13-18(7-12-25(33)34)14-17(2)26(16)27-30-22-10-8-20(15-23(22)31-27)28(35)32-24-11-9-19-5-3-4-6-21(19)29-24/h3-6,8-11,13-15H,7,12H2,1-2H3,(H,30,31)(H,33,34)(H,29,32,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 913 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50239483
(CHEMBL4088335)Show SMILES Cc1cc(CC(C)(C)C(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C30H28N4O3/c1-17-13-19(16-30(3,4)29(36)37)14-18(2)26(17)27-32-23-11-9-21(15-24(23)33-27)28(35)34-25-12-10-20-7-5-6-8-22(20)31-25/h5-15H,16H2,1-4H3,(H,32,33)(H,36,37)(H,31,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 954 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis |
J Med Chem 60: 4657-4664 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50388918
(CHEMBL2063278)Show InChI InChI=1S/C16H13Cl2N3O2/c1-2-23-16(22)19-9-6-7-12-13(8-9)21-15(20-12)14-10(17)4-3-5-11(14)18/h3-8H,2H2,1H3,(H,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50388919
(CHEMBL2063279)Show SMILES Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cccc2C)cc1C Show InChI InChI=1S/C24H23N3O/c1-14-8-10-19(12-17(14)4)25-24(28)18-9-11-20-21(13-18)27-23(26-20)22-15(2)6-5-7-16(22)3/h5-13H,1-4H3,(H,25,28)(H,26,27) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50499289
(CHEMBL3735235)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C32H36N2O4/c1-32(2,3)38-31(36)34-16-15-26-25(22-11-8-12-24(17-22)37-4)14-13-23(29(26)20-34)19-33-30(35)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,35)/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50499290
(CHEMBL3734797)Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499296
(CHEMBL3736151)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccncc12 |r| Show InChI InChI=1S/C27H24N2O2/c1-31-21-9-5-8-19(14-21)22-11-10-20(23-12-13-28-17-26(22)23)16-29-27(30)25-15-24(25)18-6-3-2-4-7-18/h2-14,17,24-25H,15-16H2,1H3,(H,29,30)/t24-,25+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50388922
(CHEMBL2063282)Show SMILES Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(NCC(O)=O)cc2C)cc1C Show InChI InChI=1S/C26H26N4O3/c1-14-5-7-19(9-15(14)2)28-26(33)18-6-8-21-22(12-18)30-25(29-21)24-16(3)10-20(11-17(24)4)27-13-23(31)32/h5-12,27H,13H2,1-4H3,(H,28,33)(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 in mouse C2C12 cells assessed as reduction in triglyceride synthesis after 2 hrs by LC/MS analysis |
ACS Med Chem Lett 3: 411-415 (2012)
Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50499290
(CHEMBL3734797)Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499291
(CHEMBL3735666)Show SMILES FC(F)(F)Oc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2cnccc12 |r| Show InChI InChI=1S/C27H21F3N2O2/c28-27(29,30)34-20-8-4-7-18(13-20)21-10-9-19(25-16-31-12-11-22(21)25)15-32-26(33)24-14-23(24)17-5-2-1-3-6-17/h1-13,16,23-24H,14-15H2,(H,32,33)/t23-,24+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50499295
(CHEMBL3735591)Show SMILES COc1cccc(c1)-c1ccc(NC(=O)[C@@H]2C[C@H]2c2nc(C)no2)c2cnccc12 |r| Show InChI InChI=1S/C23H20N4O3/c1-13-25-23(30-27-13)19-11-18(19)22(28)26-21-7-6-16(17-8-9-24-12-20(17)21)14-4-3-5-15(10-14)29-2/h3-10,12,18-19H,11H2,1-2H3,(H,26,28)/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50499290
(CHEMBL3734797)Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]-MK-0499 from human ERG |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50499286
(CHEMBL3735388)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(C)=O |r| Show InChI InChI=1S/C29H30N2O3/c1-19(32)31-14-13-25-24(21-9-6-10-23(15-21)34-2)12-11-22(28(25)18-31)17-30-29(33)27-16-26(27)20-7-4-3-5-8-20/h3-12,15,26-27H,13-14,16-18H2,1-2H3,(H,30,33)/t26-,27+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50499292
(CHEMBL3734764)Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H37N3O3/c1-32(2,3)34-31(37)35-16-15-26-25(22-11-8-12-24(17-22)38-4)14-13-23(29(26)20-35)19-33-30(36)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,36)(H,34,37)/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay |
J Med Chem 58: 9345-53 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041687
(CHEMBL3358899)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3cccc(F)c3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-8-5-9-24(36-46(43,44)22-7-4-6-20(31)14-22)26(23)45-25(17)16-37(3)29(42)35-21-12-10-19(11-13-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041679
(CHEMBL3358892)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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