Found 134 hits Enz. Inhib. hit(s) with all data for entry = 7663 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 1
(Homo sapiens (Human)) | BDBM209544
(US9271969, 32)Show SMILES Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:28.32,(-8.9,5.08,;-9.67,3.75,;-11.21,3.75,;-11.98,2.41,;-11.21,1.08,;-9.67,1.08,;-8.9,2.41,;-7.36,2.41,;-6.59,1.08,;-7.36,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.98,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)| Show InChI InChI=1S/C29H29N3O3/c1-19-4-2-3-5-25(19)31-29(35)26-18-32-17-24(14-15-27(32)30-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-28(33)34/h2-5,10-15,17-18,20-21H,6-9,16H2,1H3,(H,31,35)(H,33,34)/t20-,21? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209552
(US9271969, 40)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)c(F)c(F)c1 |r,wD:4.3,(12.75,-5.08,;11.42,-4.31,;11.42,-2.77,;10.09,-5.08,;8.75,-4.31,;8.75,-2.77,;7.42,-2,;6.09,-2.77,;6.09,-4.31,;7.42,-5.08,;4.75,-2,;3.42,-2.77,;2.09,-2,;2.09,-.46,;3.42,.31,;4.75,-.46,;.75,.31,;.75,1.85,;-.58,2.62,;-1.92,1.85,;-3.38,2.33,;-4.29,1.08,;-3.38,-.17,;-1.92,.31,;-.58,-.46,;-5.83,1.08,;-6.59,-.25,;-6.59,2.41,;-8.14,2.41,;-8.91,3.75,;-10.45,3.75,;-11.22,5.08,;-11.22,2.41,;-12.75,2.41,;-10.45,1.08,;-11.22,-.25,;-8.91,1.08,)| Show InChI InChI=1S/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36)/t16-,17? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209558
(US9271969, 46)Show SMILES CC(C)(C)c1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1 |r,wU:26.28,wD:29.32,(-13.15,-4,;-11.61,-4,;-10.84,-5.33,;-10.07,-4,;-10.84,-2.67,;-11.61,-1.33,;-10.84,,;-9.3,,;-8.53,1.33,;-6.99,1.33,;-6.22,2.67,;-6.99,4,;-4.68,2.67,;-3.77,1.42,;-2.31,1.9,;-.85,1.42,;.06,2.67,;-.85,3.91,;-2.31,3.44,;-3.77,3.91,;1.6,2.67,;2.37,1.33,;3.91,1.33,;4.68,2.67,;3.91,4,;2.37,4,;6.22,2.67,;6.99,4,;8.53,4,;9.3,2.67,;10.84,2.67,;11.61,4,;13.15,4,;10.84,5.33,;8.53,1.33,;6.99,1.33,;-8.53,-1.33,;-9.3,-2.67,)| Show InChI InChI=1S/C31H35N3O3S/c1-31(2,3)25-14-6-21(7-15-25)17-32-29(37)26-18-34-19-27(38-30(34)33-26)24-12-10-23(11-13-24)22-8-4-20(5-9-22)16-28(35)36/h6-7,10-15,18-20,22H,4-5,8-9,16-17H2,1-3H3,(H,32,37)(H,35,36)/t20-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209526
(US9271969, 14)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCOc2c1 |r,wD:4.3,(12.82,-6.32,;11.49,-5.55,;11.49,-4.01,;10.15,-6.32,;8.82,-5.55,;8.82,-4.01,;7.48,-3.24,;6.15,-4.01,;6.15,-5.55,;7.48,-6.32,;4.82,-3.24,;3.48,-4.01,;2.15,-3.24,;2.15,-1.7,;3.48,-.93,;4.82,-1.7,;.82,-.93,;.82,.61,;-.52,1.38,;-1.85,.61,;-3.32,1.09,;-4.22,-.16,;-3.32,-1.41,;-1.85,-.93,;-.52,-1.7,;-5.76,-.16,;-6.53,-1.49,;-6.53,1.17,;-8.07,1.17,;-8.84,2.51,;-8.07,3.84,;-8.84,5.18,;-10.38,5.18,;-11.41,6.32,;-12.82,5.69,;-12.66,4.16,;-11.15,3.84,;-10.38,2.51,)| Show InChI InChI=1S/C30H29N3O5/c34-29(35)14-19-1-4-21(5-2-19)22-6-8-23(9-7-22)24-10-12-28-32-25(17-33(28)16-24)30(36)31-15-20-3-11-26-27(13-20)38-18-37-26/h3,6-13,16-17,19,21H,1-2,4-5,14-15,18H2,(H,31,36)(H,34,35)/t19-,21? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209530
(US9271969, 18)Show SMILES COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:35.39,(-5.83,5.49,;-6.6,4.16,;-8.14,4.16,;-8.91,5.49,;-10.45,5.49,;-11.22,4.16,;-12.76,4.16,;-13.84,3.07,;-14.93,1.98,;-12.76,1.98,;-14.61,4.41,;-10.45,2.83,;-8.91,2.83,;-8.14,1.49,;-6.6,1.49,;-5.83,.16,;-6.6,-1.17,;-4.29,.16,;-3.38,-1.09,;-1.92,-.61,;-.58,-1.38,;.75,-.61,;.75,.93,;-.58,1.7,;-1.92,.93,;-3.38,1.41,;2.09,-1.38,;2.09,-2.92,;3.42,-3.69,;4.75,-2.92,;4.75,-1.38,;3.42,-.61,;6.09,-3.69,;7.42,-2.92,;8.75,-3.69,;8.75,-5.23,;10.09,-6,;11.42,-5.23,;12.76,-6,;11.42,-3.69,;7.42,-6,;6.09,-5.23,)| Show InChI InChI=1S/C31H30F3N3O5/c1-41-27-12-11-25(42-31(32,33)34)15-24(27)16-35-30(40)26-18-37-17-23(10-13-28(37)36-26)22-8-6-21(7-9-22)20-4-2-19(3-5-20)14-29(38)39/h6-13,15,17-20H,2-5,14,16H2,1H3,(H,35,40)(H,38,39)/t19-,20? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209531
(US9271969, 19)Show SMILES CC(C)c1ccc(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:29.32,(-10.45,7.08,;-11.22,5.75,;-12.76,5.75,;-10.45,4.41,;-8.91,4.41,;-8.14,3.08,;-8.91,1.75,;-8.14,.41,;-6.6,.41,;-5.83,-.92,;-6.6,-2.25,;-4.28,-.92,;-3.38,-2.17,;-1.92,-1.69,;-.58,-2.46,;.75,-1.69,;.75,-.15,;-.58,.62,;-1.92,-.15,;-3.38,.32,;2.09,-2.46,;2.09,-4,;3.42,-4.77,;4.75,-4,;4.75,-2.46,;3.42,-1.69,;6.09,-4.77,;7.42,-4,;8.75,-4.77,;8.75,-6.31,;10.09,-7.08,;11.42,-6.31,;12.76,-7.08,;11.42,-4.77,;7.42,-7.08,;6.09,-6.31,;-10.45,1.75,;-11.22,3.08,)| Show InChI InChI=1S/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37)/t22-,25? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209544
(US9271969, 32)Show SMILES Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:28.32,(-8.9,5.08,;-9.67,3.75,;-11.21,3.75,;-11.98,2.41,;-11.21,1.08,;-9.67,1.08,;-8.9,2.41,;-7.36,2.41,;-6.59,1.08,;-7.36,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.98,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)| Show InChI InChI=1S/C29H29N3O3/c1-19-4-2-3-5-25(19)31-29(35)26-18-32-17-24(14-15-27(32)30-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-28(33)34/h2-5,10-15,17-18,20-21H,6-9,16H2,1H3,(H,31,35)(H,33,34)/t20-,21? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209550
(US9271969, 38)Show SMILES Cc1cccc(C)c1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:29.33,(-8.91,-.25,;-9.68,1.08,;-11.22,1.08,;-11.99,2.41,;-11.22,3.75,;-9.68,3.75,;-8.91,5.08,;-8.91,2.41,;-7.37,2.41,;-6.6,1.08,;-7.37,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.99,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)| Show InChI InChI=1S/C30H31N3O3/c1-19-4-3-5-20(2)29(19)32-30(36)26-18-33-17-25(14-15-27(33)31-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-28(34)35/h3-5,10-15,17-18,21-22H,6-9,16H2,1-2H3,(H,32,36)(H,34,35)/t21-,22? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209551
(US9271969, 39)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)ccc1F |r,wD:4.3,(11.99,-5.08,;10.65,-4.31,;10.65,-2.77,;9.32,-5.08,;7.98,-4.31,;7.98,-2.77,;6.65,-2,;5.32,-2.77,;5.32,-4.31,;6.65,-5.08,;3.98,-2,;2.65,-2.77,;1.32,-2,;1.32,-.46,;2.65,.31,;3.98,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-6.6,1.08,;-7.37,-.25,;-7.37,2.41,;-8.91,2.41,;-9.68,1.08,;-11.22,1.08,;-11.99,-.25,;-11.99,2.41,;-11.22,3.75,;-9.68,3.75,;-8.91,5.08,)| Show InChI InChI=1S/C28H25F2N3O3/c29-22-10-11-23(30)24(14-22)32-28(36)25-16-33-15-21(9-12-26(33)31-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,32,36)(H,34,35)/t17-,18? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209532
(US9271969, 20)Show SMILES CC(C)(NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)c1ccc(F)cc1 |r,wD:24.27,(-9.68,-.25,;-8.91,1.08,;-10.24,.31,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,;-9.68,2.41,;-8.91,3.75,;-9.68,5.08,;-11.22,5.08,;-11.99,6.41,;-11.99,3.75,;-11.22,2.41,)| Show InChI InChI=1S/C31H32FN3O3/c1-31(2,25-12-14-26(32)15-13-25)34-30(38)27-19-35-18-24(11-16-28(35)33-27)23-9-7-22(8-10-23)21-5-3-20(4-6-21)17-29(36)37/h7-16,18-21H,3-6,17H2,1-2H3,(H,34,38)(H,36,37)/t20-,21? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209532
(US9271969, 20)Show SMILES CC(C)(NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)c1ccc(F)cc1 |r,wD:24.27,(-9.68,-.25,;-8.91,1.08,;-10.24,.31,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,;-9.68,2.41,;-8.91,3.75,;-9.68,5.08,;-11.22,5.08,;-11.99,6.41,;-11.99,3.75,;-11.22,2.41,)| Show InChI InChI=1S/C31H32FN3O3/c1-31(2,25-12-14-26(32)15-13-25)34-30(38)27-19-35-18-24(11-16-28(35)33-27)23-9-7-22(8-10-23)21-5-3-20(4-6-21)17-29(36)37/h7-16,18-21H,3-6,17H2,1-2H3,(H,34,38)(H,36,37)/t20-,21? | PDB
UniProtKB/SwissProt
antibodypedia
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209537
(US9271969, 25)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 |r,wD:4.3,(15.07,-7.08,;13.73,-6.31,;13.73,-4.77,;12.4,-7.08,;11.06,-6.31,;11.06,-4.77,;9.73,-4,;8.4,-4.77,;8.4,-6.31,;9.73,-7.08,;7.06,-4,;5.73,-4.77,;4.4,-4,;4.4,-2.46,;5.73,-1.69,;7.06,-2.46,;3.06,-1.69,;3.06,-.15,;1.73,.62,;.39,-.15,;-1.07,.32,;-1.98,-.92,;-1.07,-2.17,;.39,-1.69,;1.73,-2.46,;-3.52,-.92,;-4.29,-2.25,;-4.29,.41,;-5.83,.41,;-6.6,1.75,;-8.14,1.75,;-8.91,3.08,;-8.14,4.41,;-8.91,5.75,;-10.45,5.75,;-11.22,4.41,;-12.76,4.41,;-13.53,5.75,;-15.07,5.75,;-12.76,7.08,;-11.22,7.08,;-6.6,4.41,;-5.83,3.08,)| Show InChI InChI=1S/C35H32FN3O4/c36-29-12-16-31(17-13-29)43-30-14-3-24(4-15-30)20-37-35(42)32-22-39-21-28(11-18-33(39)38-32)27-9-7-26(8-10-27)25-5-1-23(2-6-25)19-34(40)41/h3-4,7-18,21-23,25H,1-2,5-6,19-20H2,(H,37,42)(H,40,41)/t23-,25? | PDB
Reactome pathway
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| PC cid
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| US Patent
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209528
(US9271969, 16)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cccc(Cl)c1 |r,wD:4.3,(9.68,-5.75,;8.34,-4.98,;8.34,-3.44,;7.01,-5.75,;5.67,-4.98,;5.67,-3.44,;4.34,-2.67,;3.01,-3.44,;3.01,-4.98,;4.34,-5.75,;1.67,-2.67,;.34,-3.44,;-.99,-2.67,;-.99,-1.13,;.34,-.36,;1.67,-1.13,;-2.33,-.36,;-2.33,1.18,;-3.66,1.95,;-5,1.18,;-6.46,1.66,;-7.37,.41,;-6.46,-.83,;-5,-.36,;-3.66,-1.13,;-8.91,.41,;-9.68,-.92,;-9.68,1.75,;-8.91,3.08,;-9.68,4.41,;-8.91,5.75,;-7.37,5.75,;-6.6,4.41,;-5.06,4.41,;-7.37,3.08,)| Show InChI InChI=1S/C28H26ClN3O3/c29-23-2-1-3-24(15-23)30-28(35)25-17-32-16-22(12-13-26(32)31-25)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-27(33)34/h1-3,8-13,15-19H,4-7,14H2,(H,30,35)(H,33,34)/t18-,19? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209534
(US9271969, 22)Show SMILES Cc1cccc(Cl)c1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:30.34,(-10.83,2.41,;-10.06,3.75,;-10.83,5.08,;-10.06,6.41,;-8.52,6.41,;-7.75,5.08,;-6.21,5.08,;-8.52,3.75,;-7.75,2.41,;-8.52,1.08,;-7.75,-.25,;-8.52,-1.59,;-6.21,-.25,;-5.3,-1.5,;-3.84,-1.02,;-2.51,-1.79,;-1.17,-1.02,;-1.17,.52,;-2.51,1.29,;-3.84,.52,;-5.3,.99,;.16,-1.79,;.16,-3.33,;1.49,-4.1,;2.83,-3.33,;2.83,-1.79,;1.49,-1.02,;4.16,-4.1,;5.5,-3.33,;6.83,-4.1,;6.83,-5.64,;8.16,-6.41,;9.5,-5.64,;10.83,-6.41,;9.5,-4.1,;5.5,-6.41,;4.16,-5.64,)| Show InChI InChI=1S/C30H30ClN3O3/c1-19-3-2-4-26(31)25(19)16-32-30(37)27-18-34-17-24(13-14-28(34)33-27)23-11-9-22(10-12-23)21-7-5-20(6-8-21)15-29(35)36/h2-4,9-14,17-18,20-21H,5-8,15-16H2,1H3,(H,32,37)(H,35,36)/t20-,21? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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| US Patent
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209538
(US9271969, 26)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCCCOc2c1 |r,wD:4.3,(12.21,-7.42,;10.74,-6.62,;10.74,-5.08,;9.43,-7.3,;8.1,-6.53,;8.1,-4.99,;6.76,-4.22,;5.43,-4.99,;5.43,-6.53,;6.76,-7.3,;4.1,-4.22,;2.76,-4.99,;1.43,-4.22,;1.43,-2.68,;2.76,-1.91,;4.1,-2.68,;.1,-1.91,;.1,-.37,;-1.24,.4,;-2.57,-.37,;-4.04,.11,;-4.94,-1.14,;-4.04,-2.39,;-2.57,-1.91,;-1.24,-2.68,;-6.48,-1.14,;-7.25,-2.47,;-7.25,.19,;-6.48,1.53,;-7.25,2.86,;-6.48,4.19,;-7.25,5.53,;-8.79,5.53,;-9.35,6.96,;-10.83,7.42,;-12.1,6.55,;-12.21,5.01,;-11.09,3.97,;-9.56,4.19,;-8.79,2.86,)| Show InChI InChI=1S/C32H33N3O5/c36-31(37)17-21-2-5-23(6-3-21)24-7-9-25(10-8-24)26-11-13-30-34-27(20-35(30)19-26)32(38)33-18-22-4-12-28-29(16-22)40-15-1-14-39-28/h4,7-13,16,19-21,23H,1-3,5-6,14-15,17-18H2,(H,33,38)(H,36,37)/t21-,23? | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209527
(US9271969, 15)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r,wD:4.3,(9.67,-6.41,;8.34,-5.64,;8.34,-4.1,;7.01,-6.41,;5.67,-5.64,;5.67,-4.1,;4.34,-3.33,;3.01,-4.1,;3.01,-5.64,;4.34,-6.41,;1.67,-3.33,;.34,-4.1,;-.99,-3.33,;-.99,-1.79,;.34,-1.02,;1.67,-1.79,;-2.33,-1.02,;-2.33,.52,;-3.66,1.29,;-5,.52,;-6.46,.99,;-7.36,-.25,;-6.46,-1.5,;-5,-1.02,;-3.66,-1.79,;-8.9,-.25,;-9.67,-1.59,;-9.67,1.08,;-8.9,2.41,;-9.67,3.75,;-8.9,5.08,;-7.36,5.08,;-6.59,6.41,;-6.59,3.75,;-5.05,3.75,;-7.36,2.41,)| Show InChI InChI=1S/C28H25Cl2N3O3/c29-23-11-10-22(14-24(23)30)31-28(36)25-16-33-15-21(9-12-26(33)32-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,31,36)(H,34,35)/t17-,18? | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209513
(US9271969, 1)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(11.99,-6.41,;10.65,-5.64,;10.65,-4.1,;9.32,-6.41,;7.98,-5.64,;7.98,-4.1,;6.65,-3.33,;5.32,-4.1,;5.32,-5.64,;6.65,-6.41,;3.98,-3.33,;2.65,-4.1,;1.32,-3.33,;1.32,-1.79,;2.65,-1.02,;3.98,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-6.59,-.25,;-7.37,-1.59,;-7.37,1.08,;-8.91,1.08,;-9.67,2.41,;-11.22,2.41,;-11.99,3.75,;-11.22,5.08,;-11.99,6.41,;-11.59,7.9,;-11.19,9.39,;-10.25,7.13,;-13.13,7.9,;-9.67,5.08,;-8.91,3.75,)| Show InChI InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)/t19-,21? | PDB
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UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209514
(US9271969, 2)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(cc1)C(F)(F)F |r,wD:4.3,(12.76,-3.85,;11.42,-3.08,;11.42,-1.54,;10.09,-3.85,;8.75,-3.08,;8.75,-1.54,;7.42,-.77,;6.09,-1.54,;6.09,-3.08,;7.42,-3.85,;4.75,-.77,;3.42,-1.54,;2.09,-.77,;2.09,.77,;3.42,1.54,;4.75,.77,;.75,1.54,;.75,3.08,;-.58,3.85,;-1.92,3.08,;-3.38,3.56,;-4.29,2.31,;-3.38,1.06,;-1.92,1.54,;-.58,.77,;-5.83,2.31,;-6.6,3.64,;-6.6,.98,;-8.14,.98,;-8.91,2.31,;-10.45,2.31,;-11.22,.98,;-10.45,-.36,;-8.91,-.36,;-12.76,.98,;-14.3,.98,;-12.76,-.56,;-12.76,2.52,)| Show InChI InChI=1S/C29H26F3N3O3/c30-29(31,32)23-10-12-24(13-11-23)33-28(38)25-17-35-16-22(9-14-26(35)34-25)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-27(36)37/h5-14,16-19H,1-4,15H2,(H,33,38)(H,36,37)/t18-,19? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209515
(US9271969, 3)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(9.01,4.57,;7.67,3.8,;6.34,4.57,;7.67,2.26,;6.34,1.49,;5.01,2.26,;3.67,1.49,;3.67,-.05,;5.01,-.82,;6.34,-.05,;2.34,-.82,;2.34,-2.36,;1.01,-3.13,;-.33,-2.36,;-.33,-.82,;1.01,-.05,;-1.66,-3.13,;-1.66,-4.67,;-2.99,-5.44,;-4.33,-4.67,;-5.79,-5.14,;-6.7,-3.9,;-5.79,-2.65,;-4.33,-3.13,;-2.99,-2.36,;-8.24,-3.9,;-9.01,-5.23,;-9.01,-2.56,;-8.24,-1.23,;-6.7,-1.23,;-5.93,.1,;-6.67,1.48,;-5.9,2.82,;-6.67,4.15,;-7.44,5.49,;-5.34,4.92,;-8,3.38,;-8.24,1.44,;-9.01,.1,)| Show InChI InChI=1S/C29H26F3N3O4/c30-29(31,32)39-24-12-10-23(11-13-24)33-28(38)25-17-35-16-22(9-14-26(35)34-25)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-27(36)37/h5-14,16-19H,1-4,15H2,(H,33,38)(H,36,37)/t18-,19? | PDB
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209530
(US9271969, 18)Show SMILES COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:35.39,(-5.83,5.49,;-6.6,4.16,;-8.14,4.16,;-8.91,5.49,;-10.45,5.49,;-11.22,4.16,;-12.76,4.16,;-13.84,3.07,;-14.93,1.98,;-12.76,1.98,;-14.61,4.41,;-10.45,2.83,;-8.91,2.83,;-8.14,1.49,;-6.6,1.49,;-5.83,.16,;-6.6,-1.17,;-4.29,.16,;-3.38,-1.09,;-1.92,-.61,;-.58,-1.38,;.75,-.61,;.75,.93,;-.58,1.7,;-1.92,.93,;-3.38,1.41,;2.09,-1.38,;2.09,-2.92,;3.42,-3.69,;4.75,-2.92,;4.75,-1.38,;3.42,-.61,;6.09,-3.69,;7.42,-2.92,;8.75,-3.69,;8.75,-5.23,;10.09,-6,;11.42,-5.23,;12.76,-6,;11.42,-3.69,;7.42,-6,;6.09,-5.23,)| Show InChI InChI=1S/C31H30F3N3O5/c1-41-27-12-11-25(42-31(32,33)34)15-24(27)16-35-30(40)26-18-37-17-23(10-13-28(37)36-26)22-8-6-21(7-9-22)20-4-2-19(3-5-20)14-29(38)39/h6-13,15,17-20H,2-5,14,16H2,1H3,(H,35,40)(H,38,39)/t19-,20? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209531
(US9271969, 19)Show SMILES CC(C)c1ccc(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:29.32,(-10.45,7.08,;-11.22,5.75,;-12.76,5.75,;-10.45,4.41,;-8.91,4.41,;-8.14,3.08,;-8.91,1.75,;-8.14,.41,;-6.6,.41,;-5.83,-.92,;-6.6,-2.25,;-4.28,-.92,;-3.38,-2.17,;-1.92,-1.69,;-.58,-2.46,;.75,-1.69,;.75,-.15,;-.58,.62,;-1.92,-.15,;-3.38,.32,;2.09,-2.46,;2.09,-4,;3.42,-4.77,;4.75,-4,;4.75,-2.46,;3.42,-1.69,;6.09,-4.77,;7.42,-4,;8.75,-4.77,;8.75,-6.31,;10.09,-7.08,;11.42,-6.31,;12.76,-7.08,;11.42,-4.77,;7.42,-7.08,;6.09,-6.31,;-10.45,1.75,;-11.22,3.08,)| Show InChI InChI=1S/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37)/t22-,25? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209533
(US9271969, 21)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NC1(CC1)c1cc(F)ccc1F |r,wD:4.3,(11.21,-5.75,;9.88,-4.98,;9.88,-3.44,;8.55,-5.75,;7.21,-4.98,;7.21,-3.44,;5.88,-2.67,;4.55,-3.44,;4.55,-4.98,;5.88,-5.75,;3.21,-2.67,;1.88,-3.44,;.55,-2.67,;.55,-1.13,;1.88,-.36,;3.21,-1.13,;-.79,-.36,;-.79,1.18,;-2.12,1.95,;-3.46,1.18,;-4.92,1.66,;-5.82,.41,;-4.92,-.83,;-3.46,-.36,;-2.12,-1.13,;-7.36,.41,;-8.13,-.92,;-8.13,1.75,;-9.67,1.75,;-10.44,.41,;-11.21,1.75,;-8.9,3.08,;-7.36,3.08,;-6.59,4.41,;-5.05,4.41,;-7.36,5.75,;-8.9,5.75,;-9.67,4.41,;-11.21,4.41,)| Show InChI InChI=1S/C31H29F2N3O3/c32-24-10-11-26(33)25(16-24)31(13-14-31)35-30(39)27-18-36-17-23(9-12-28(36)34-27)22-7-5-21(6-8-22)20-3-1-19(2-4-20)15-29(37)38/h5-12,16-20H,1-4,13-15H2,(H,35,39)(H,37,38)/t19-,20? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209539
(US9271969, 27)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(F)cccc1Cl |r,wD:4.3,(12.04,-5.81,;10.57,-5.01,;10.57,-3.47,;9.26,-5.69,;7.93,-4.92,;7.93,-3.38,;6.59,-2.61,;5.26,-3.38,;5.26,-4.92,;6.59,-5.69,;3.93,-2.61,;2.59,-3.38,;1.26,-2.61,;1.26,-1.07,;2.59,-.3,;3.93,-1.07,;-.08,-.3,;-.08,1.24,;-1.41,2.01,;-2.74,1.24,;-4.21,1.72,;-5.11,.47,;-4.21,-.78,;-2.74,-.3,;-1.41,-1.07,;-6.65,.47,;-7.42,-.86,;-7.42,1.8,;-8.96,1.8,;-9.73,3.14,;-8.96,4.47,;-7.42,4.47,;-9.73,5.81,;-11.27,5.81,;-12.04,4.47,;-11.27,3.14,;-12.04,1.8,)| Show InChI InChI=1S/C29H27ClFN3O3/c30-24-2-1-3-25(31)23(24)15-32-29(37)26-17-34-16-22(12-13-27(34)33-26)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-28(35)36/h1-3,8-13,16-19H,4-7,14-15H2,(H,32,37)(H,35,36)/t18-,19? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209540
(US9271969, 28)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1Cl |r,wD:4.3,(12.04,-5.81,;10.56,-5.01,;10.56,-3.47,;9.26,-5.69,;7.93,-4.92,;7.93,-3.38,;6.59,-2.61,;5.26,-3.38,;5.26,-4.92,;6.59,-5.69,;3.93,-2.61,;2.59,-3.38,;1.26,-2.61,;1.26,-1.07,;2.59,-.3,;3.93,-1.07,;-.08,-.3,;-.08,1.24,;-1.41,2.01,;-2.74,1.24,;-4.21,1.72,;-5.11,.47,;-4.21,-.78,;-2.74,-.3,;-1.41,-1.07,;-6.65,.47,;-7.42,-.86,;-7.42,1.8,;-8.96,1.8,;-9.73,3.14,;-11.27,3.14,;-12.04,1.8,;-12.04,4.47,;-11.27,5.81,;-9.73,5.81,;-8.96,4.47,;-7.42,4.47,)| Show InChI InChI=1S/C29H27Cl2N3O3/c30-24-2-1-3-25(31)23(24)15-32-29(37)26-17-34-16-22(12-13-27(34)33-26)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-28(35)36/h1-3,8-13,16-19H,4-7,14-15H2,(H,32,37)(H,35,36)/t18-,19? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209542
(US9271969, 30)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1C(F)(F)F |r,wD:4.3,(12.04,-5.81,;10.56,-5.01,;10.56,-3.47,;9.26,-5.69,;7.93,-4.92,;7.93,-3.38,;6.59,-2.61,;5.26,-3.38,;5.26,-4.92,;6.59,-5.69,;3.93,-2.61,;2.59,-3.38,;1.26,-2.61,;1.26,-1.07,;2.59,-.3,;3.93,-1.07,;-.08,-.3,;-.08,1.24,;-1.41,2.01,;-2.74,1.24,;-4.21,1.72,;-5.11,.47,;-4.21,-.78,;-2.74,-.3,;-1.41,-1.07,;-6.65,.47,;-7.42,-.86,;-7.42,1.8,;-8.96,1.8,;-9.73,3.14,;-8.96,4.47,;-7.42,4.47,;-9.73,5.81,;-11.27,5.81,;-12.04,4.47,;-11.27,3.14,;-12.04,1.8,;-12.81,.47,;-10.71,1.03,;-13.38,2.57,)| Show InChI InChI=1S/C30H27ClF3N3O3/c31-25-3-1-2-24(30(32,33)34)23(25)15-35-29(40)26-17-37-16-22(12-13-27(37)36-26)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-28(38)39/h1-3,8-13,16-19H,4-7,14-15H2,(H,35,40)(H,38,39)/t18-,19? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209549
(US9271969, 37)Show SMILES Cc1ccccc1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:29.33,(-11.99,1.75,;-11.22,3.08,;-11.99,4.41,;-11.22,5.75,;-9.68,5.75,;-8.91,4.41,;-9.68,3.08,;-8.91,1.75,;-7.37,1.75,;-6.6,.41,;-7.37,-.92,;-5.06,.41,;-4.15,-.83,;-2.69,-.36,;-1.35,-1.13,;-.02,-.36,;-.02,1.18,;-1.35,1.95,;-2.69,1.18,;-4.15,1.66,;1.32,-1.13,;1.32,-2.67,;2.65,-3.44,;3.98,-2.67,;3.98,-1.13,;2.65,-.36,;5.32,-3.44,;6.65,-2.67,;7.98,-3.44,;7.98,-4.98,;9.32,-5.75,;10.65,-4.98,;11.99,-5.75,;10.65,-3.44,;6.65,-5.75,;5.32,-4.98,)| Show InChI InChI=1S/C30H31N3O3/c1-20-4-2-3-5-25(20)17-31-30(36)27-19-33-18-26(14-15-28(33)32-27)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-29(34)35/h2-5,10-15,18-19,21-22H,6-9,16-17H2,1H3,(H,31,36)(H,34,35)/t21-,22? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209551
(US9271969, 39)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)ccc1F |r,wD:4.3,(11.99,-5.08,;10.65,-4.31,;10.65,-2.77,;9.32,-5.08,;7.98,-4.31,;7.98,-2.77,;6.65,-2,;5.32,-2.77,;5.32,-4.31,;6.65,-5.08,;3.98,-2,;2.65,-2.77,;1.32,-2,;1.32,-.46,;2.65,.31,;3.98,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-6.6,1.08,;-7.37,-.25,;-7.37,2.41,;-8.91,2.41,;-9.68,1.08,;-11.22,1.08,;-11.99,-.25,;-11.99,2.41,;-11.22,3.75,;-9.68,3.75,;-8.91,5.08,)| Show InChI InChI=1S/C28H25F2N3O3/c29-22-10-11-23(30)24(14-22)32-28(36)25-16-33-15-21(9-12-26(33)31-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,32,36)(H,34,35)/t17-,18? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209554
(US9271969, 42)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(F)cc(Cl)cc1F |r,wD:4.3,(11.99,-6.41,;10.65,-5.64,;10.65,-4.1,;9.32,-6.41,;7.98,-5.64,;7.98,-4.1,;6.65,-3.33,;5.32,-4.1,;5.32,-5.64,;6.65,-6.41,;3.98,-3.33,;2.65,-4.1,;1.32,-3.33,;1.32,-1.79,;2.65,-1.02,;3.98,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-6.6,-.25,;-7.37,-1.59,;-7.37,1.08,;-8.91,1.08,;-9.68,2.41,;-11.22,2.41,;-11.99,1.08,;-11.99,3.75,;-11.22,5.08,;-11.99,6.41,;-9.68,5.08,;-8.91,3.75,;-7.37,3.75,)| Show InChI InChI=1S/C29H26ClF2N3O3/c30-22-12-24(31)23(25(32)13-22)14-33-29(38)26-16-35-15-21(9-10-27(35)34-26)20-7-5-19(6-8-20)18-3-1-17(2-4-18)11-28(36)37/h5-10,12-13,15-18H,1-4,11,14H2,(H,33,38)(H,36,37)/t17-,18? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209555
(US9271969, 43)Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:31.35,(-7.37,3.75,;-8.91,3.75,;-9.68,5.08,;-11.22,5.08,;-11.99,6.41,;-11.99,3.75,;-11.22,2.41,;-11.99,1.08,;-9.68,2.41,;-8.91,1.08,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,)| Show InChI InChI=1S/C30H29Cl2N3O3/c1-18-12-24(31)14-26(32)25(18)15-33-30(38)27-17-35-16-23(10-11-28(35)34-27)22-8-6-21(7-9-22)20-4-2-19(3-5-20)13-29(36)37/h6-12,14,16-17,19-20H,2-5,13,15H2,1H3,(H,33,38)(H,36,37)/t19-,20? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209559
(US9271969, 47)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)Nc1cccc(Cl)c1 |r,wU:7.10,wD:4.3,(10.07,-.67,;8.53,-.67,;7.76,.67,;7.76,-2,;6.22,-2,;5.45,-.67,;3.91,-.67,;3.14,-2,;3.91,-3.33,;5.45,-3.33,;1.6,-2,;.83,-3.33,;-.71,-3.33,;-1.48,-2,;-.71,-.67,;.83,-.67,;-3.02,-2,;-3.93,-3.25,;-5.39,-2.77,;-6.85,-3.25,;-7.76,-2,;-6.85,-.75,;-5.39,-1.23,;-3.93,-.75,;-9.3,-2,;-10.07,-3.33,;-10.07,-.67,;-9.3,.67,;-10.07,2,;-9.3,3.33,;-7.76,3.33,;-6.99,2,;-5.45,2,;-7.76,.67,)| Show InChI InChI=1S/C26H24ClN3O3S/c27-20-2-1-3-21(13-20)28-25(33)22-14-30-15-23(34-26(30)29-22)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-24(31)32/h1-3,8-11,13-17H,4-7,12H2,(H,28,33)(H,31,32)/t16-,17- | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209561
(US9271969, 49)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1ccc(F)c(Cl)c1 |r,wU:7.10,wD:4.3,(11.19,-2,;9.72,-2,;8.95,-.67,;8.95,-3.33,;7.41,-3.33,;6.64,-2,;5.1,-2,;4.33,-3.33,;5.1,-4.67,;6.64,-4.67,;2.79,-3.33,;2.02,-4.67,;.48,-4.67,;-.29,-3.33,;.48,-2,;2.02,-2,;-1.83,-3.33,;-2.74,-4.58,;-4.2,-4.1,;-5.66,-4.58,;-6.57,-3.33,;-5.66,-2.09,;-4.2,-2.56,;-2.74,-2.09,;-8.11,-3.33,;-8.88,-4.67,;-8.88,-2,;-8.11,-.67,;-8.88,.67,;-10.42,.67,;-11.19,2,;-10.42,3.33,;-11.19,4.67,;-8.88,3.33,;-8.11,4.67,;-8.11,2,)| Show InChI InChI=1S/C27H25ClFN3O3S/c28-21-11-17(3-10-22(21)29)13-30-26(35)23-14-32-15-24(36-27(32)31-23)20-8-6-19(7-9-20)18-4-1-16(2-5-18)12-25(33)34/h3,6-11,14-16,18H,1-2,4-5,12-13H2,(H,30,35)(H,33,34)/t16-,18- | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209564
(US9271969, 52)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)Nc1cccc(OC(F)(F)F)c1 |r,wU:7.10,wD:4.3,(12.35,2,;10.88,2,;10.11,3.33,;10.11,.67,;8.57,.67,;7.8,2,;6.26,2,;5.49,.67,;6.26,-.67,;7.8,-.67,;3.95,.67,;3.18,-.67,;1.64,-.67,;.87,.67,;1.64,2,;3.18,2,;-.67,.67,;-1.58,-.58,;-3.05,-.1,;-4.51,-.58,;-5.41,.67,;-4.51,1.91,;-3.05,1.44,;-1.58,1.91,;-6.96,.67,;-7.73,2,;-7.73,-.67,;-9.27,-.67,;-10.04,.67,;-11.58,.67,;-12.35,-.67,;-11.58,-2,;-12.35,-3.33,;-13.89,-3.33,;-15.43,-3.33,;-13.89,-4.87,;-13.49,-1.85,;-10.04,-2,)| Show InChI InChI=1S/C27H24F3N3O4S/c28-27(29,30)37-21-3-1-2-20(13-21)31-25(36)22-14-33-15-23(38-26(33)32-22)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-24(34)35/h1-3,8-11,13-17H,4-7,12H2,(H,31,36)(H,34,35)/t16-,17- | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209566
(US9271969, 54)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NC1(CC1)c1cc(F)ccc1F |r,wD:4.3,(11.61,2.67,;10.07,2.67,;9.3,4,;9.3,1.33,;7.76,1.33,;6.99,2.67,;5.45,2.67,;4.68,1.33,;5.45,,;6.99,,;3.14,1.33,;2.37,,;.83,,;.06,1.33,;.83,2.67,;2.37,2.67,;-1.48,1.33,;-2.39,.09,;-3.85,.56,;-5.31,.09,;-6.22,1.33,;-5.31,2.58,;-3.85,2.1,;-2.39,2.58,;-7.76,1.33,;-8.53,2.67,;-8.53,,;-10.07,,;-10.84,1.33,;-11.61,,;-9.3,-1.33,;-7.76,-1.33,;-6.99,-2.67,;-5.45,-2.67,;-7.76,-4,;-9.3,-4,;-10.07,-2.67,;-11.61,-2.67,)| Show InChI InChI=1S/C29H27F2N3O3S/c30-21-9-10-23(31)22(14-21)29(11-12-29)33-27(37)24-15-34-16-25(38-28(34)32-24)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-26(35)36/h5-10,14-18H,1-4,11-13H2,(H,33,37)(H,35,36)/t17-,18? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209567
(US9271969, 55)Show SMILES COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(sc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:34.38,(-11.98,3.03,;-12.38,1.55,;-11.61,.21,;-12.38,-1.12,;-11.61,-2.45,;-10.04,-2.5,;-9.27,-3.84,;-7.73,-3.84,;-6.19,-3.84,;-7.73,-5.38,;-7.73,-2.3,;-9.3,-1.12,;-10.07,.21,;-9.3,1.55,;-7.76,1.55,;-6.99,2.88,;-7.76,4.21,;-5.45,2.88,;-4.54,1.63,;-3.08,2.11,;-1.62,1.63,;-.71,2.88,;-1.62,4.13,;-3.08,3.65,;-4.54,4.13,;.83,2.88,;1.6,1.55,;3.14,1.55,;3.91,2.88,;3.14,4.21,;1.6,4.21,;5.45,2.88,;6.22,4.21,;7.76,4.21,;8.53,2.88,;10.07,2.88,;10.84,4.21,;12.38,4.21,;10.07,5.55,;7.76,1.55,;6.22,1.55,)| Show InChI InChI=1S/C29H28F3N3O5S/c1-39-24-11-10-22(40-29(30,31)32)13-21(24)14-33-27(38)23-15-35-16-25(41-28(35)34-23)20-8-6-19(7-9-20)18-4-2-17(3-5-18)12-26(36)37/h6-11,13,15-18H,2-5,12,14H2,1H3,(H,33,38)(H,36,37)/t17-,18? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209568
(US9271969, 56)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(12.38,3.33,;10.84,3.33,;10.07,4.67,;10.07,2,;8.53,2,;7.76,3.33,;6.22,3.33,;5.45,2,;6.22,.67,;7.76,.67,;3.91,2,;3.14,.67,;1.6,.67,;.83,2,;1.6,3.33,;3.14,3.33,;-.71,2,;-1.62,.75,;-3.08,1.23,;-4.54,.75,;-5.45,2,;-4.54,3.25,;-3.08,2.77,;-1.62,3.25,;-6.99,2,;-7.76,3.33,;-7.76,.67,;-9.3,.67,;-10.07,-.67,;-9.3,-2,;-10.07,-3.33,;-11.61,-3.33,;-12.38,-4.67,;-13.87,-5.07,;-15.35,-5.47,;-13.47,-6.55,;-13.87,-3.53,;-12.38,-2,;-11.61,-.67,)| Show InChI InChI=1S/C28H26F3N3O4S/c29-28(30,31)38-22-11-3-18(4-12-22)14-32-26(37)23-15-34-16-24(39-27(34)33-23)21-9-7-20(8-10-21)19-5-1-17(2-6-19)13-25(35)36/h3-4,7-12,15-17,19H,1-2,5-6,13-14H2,(H,32,37)(H,35,36)/t17-,19? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209569
(US9271969, 57)Show SMILES COc1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:27.30,(-12.76,4.67,;-11.22,4.67,;-10.45,3.33,;-8.91,3.33,;-8.14,2,;-8.91,.67,;-8.14,-.67,;-8.91,-2,;-8.14,-3.33,;-8.91,-4.67,;-6.6,-3.33,;-5.7,-4.58,;-4.24,-4.1,;-2.77,-4.58,;-1.87,-3.33,;-2.77,-2.09,;-4.24,-2.56,;-5.7,-2.09,;-.33,-3.33,;.44,-2,;1.98,-2,;2.75,-3.33,;1.98,-4.67,;.44,-4.67,;4.29,-3.33,;5.06,-2,;6.6,-2,;7.37,-3.33,;8.91,-3.33,;9.68,-2,;11.22,-2,;8.91,-.67,;6.6,-4.67,;5.06,-4.67,;-10.45,.67,;-11.22,2,)| Show InChI InChI=1S/C28H29N3O4S/c1-35-23-12-4-19(5-13-23)15-29-27(34)24-16-31-17-25(36-28(31)30-24)22-10-8-21(9-11-22)20-6-2-18(3-7-20)14-26(32)33/h4-5,8-13,16-18,20H,2-3,6-7,14-15H2,1H3,(H,29,34)(H,32,33)/t18-,20? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209572
(US9271969, 60)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)Nc1ccc(F)c(Cl)c1 |r,wD:4.3,(10.07,-1.33,;8.53,-1.33,;7.76,,;7.76,-2.67,;6.22,-2.67,;5.45,-1.33,;3.91,-1.33,;3.14,-2.67,;3.91,-4,;5.45,-4,;1.6,-2.67,;.83,-4,;-.71,-4,;-1.48,-2.67,;-.71,-1.33,;.83,-1.33,;-3.02,-2.67,;-3.93,-3.91,;-5.39,-3.44,;-6.85,-3.91,;-7.76,-2.67,;-6.85,-1.42,;-5.39,-1.9,;-3.93,-1.42,;-9.3,-2.67,;-10.07,-4,;-10.07,-1.33,;-9.3,,;-7.76,,;-6.99,1.33,;-7.76,2.67,;-6.99,4,;-9.3,2.67,;-10.07,4,;-10.07,1.33,)| Show InChI InChI=1S/C26H23ClFN3O3S/c27-20-12-19(9-10-21(20)28)29-25(34)22-13-31-14-23(35-26(31)30-22)18-7-5-17(6-8-18)16-3-1-15(2-4-16)11-24(32)33/h5-10,12-16H,1-4,11H2,(H,29,34)(H,32,33)/t15-,16? | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209573
(US9271969, 61)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(Cl)cccc1Cl |r,wU:7.10,wD:4.3,(12.38,2.67,;10.84,2.67,;10.07,4,;10.07,1.33,;8.53,1.33,;7.76,2.67,;6.22,2.67,;5.45,1.33,;6.22,,;7.76,,;3.91,1.33,;3.14,2.67,;1.6,2.67,;.83,1.33,;1.6,,;3.14,,;-.71,1.33,;-1.62,.09,;-3.08,.56,;-4.54,.09,;-5.45,1.33,;-4.54,2.58,;-3.08,2.1,;-1.62,2.58,;-6.99,1.33,;-7.76,2.67,;-7.76,,;-9.3,,;-10.07,-1.33,;-11.61,-1.33,;-12.38,,;-12.38,-2.67,;-11.61,-4,;-10.07,-4,;-9.3,-2.67,;-7.76,-2.67,)| Show InChI InChI=1S/C27H25Cl2N3O3S/c28-21-2-1-3-22(29)20(21)13-30-26(35)23-14-32-15-24(36-27(32)31-23)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-25(33)34/h1-3,8-11,14-17H,4-7,12-13H2,(H,30,35)(H,33,34)/t16-,17- | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209574
(US9271969, 62)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(F)cccc1Cl |r,wU:7.10,wD:4.3,(12.38,2.67,;10.84,2.67,;10.07,4,;10.07,1.33,;8.53,1.33,;7.76,2.67,;6.22,2.67,;5.45,1.33,;6.22,,;7.76,,;3.91,1.33,;3.14,2.67,;1.6,2.67,;.83,1.33,;1.6,,;3.14,,;-.71,1.33,;-1.62,.09,;-3.08,.56,;-4.54,.09,;-5.45,1.33,;-4.54,2.58,;-3.08,2.1,;-1.62,2.58,;-6.99,1.33,;-7.76,2.67,;-7.76,,;-9.3,,;-10.07,-1.33,;-11.61,-1.33,;-12.38,,;-12.38,-2.67,;-11.61,-4,;-10.07,-4,;-9.3,-2.67,;-7.76,-2.67,)| Show InChI InChI=1S/C27H25ClFN3O3S/c28-21-2-1-3-22(29)20(21)13-30-26(35)23-14-32-15-24(36-27(32)31-23)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-25(33)34/h1-3,8-11,14-17H,4-7,12-13H2,(H,30,35)(H,33,34)/t16-,17- | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209576
(US9271969, 64)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(F)cc(Cl)cc1F |r,wU:7.10,wD:4.3,(12.38,3.33,;10.84,3.33,;10.07,4.67,;10.07,2,;8.53,2,;7.76,3.33,;6.22,3.33,;5.45,2,;6.22,.67,;7.76,.67,;3.91,2,;3.14,3.33,;1.6,3.33,;.83,2,;1.6,.67,;3.14,.67,;-.71,2,;-1.62,.75,;-3.08,1.23,;-4.54,.75,;-5.45,2,;-4.54,3.25,;-3.08,2.77,;-1.62,3.25,;-6.99,2,;-7.76,3.33,;-7.76,.67,;-9.3,.67,;-10.07,-.67,;-11.61,-.67,;-12.38,.67,;-12.38,-2,;-11.61,-3.33,;-12.38,-4.67,;-10.07,-3.33,;-9.3,-2,;-7.76,-2,)| Show InChI InChI=1S/C27H24ClF2N3O3S/c28-19-10-21(29)20(22(30)11-19)12-31-26(36)23-13-33-14-24(37-27(33)32-23)18-7-5-17(6-8-18)16-3-1-15(2-4-16)9-25(34)35/h5-8,10-11,13-16H,1-4,9,12H2,(H,31,36)(H,34,35)/t15-,16- | PDB
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209577
(US9271969, 65)Show SMILES CC(C)([C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccccc1)C(O)=O |r,wD:3.2,(8.55,-6.41,;9.32,-5.08,;10.09,-6.41,;7.98,-4.31,;7.98,-2.77,;6.65,-2,;5.32,-2.77,;5.32,-4.31,;6.65,-5.08,;3.98,-2,;2.65,-2.77,;1.32,-2,;1.32,-.46,;2.65,.31,;3.98,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-6.6,1.08,;-7.37,-.25,;-7.37,2.41,;-8.91,2.41,;-9.68,3.75,;-8.91,5.08,;-9.68,6.41,;-11.22,6.41,;-11.99,5.08,;-11.22,3.75,;10.65,-4.31,;11.99,-5.08,;10.65,-2.77,)| Show InChI InChI=1S/C31H33N3O3/c1-31(2,30(36)37)26-15-12-23(13-16-26)22-8-10-24(11-9-22)25-14-17-28-33-27(20-34(28)19-25)29(35)32-18-21-6-4-3-5-7-21/h3-11,14,17,19-20,23,26H,12-13,15-16,18H2,1-2H3,(H,32,35)(H,36,37)/t23?,26- | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
| US Patent
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KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM209578
(US9271969, 66)Show SMILES CC(C)([C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(O)=O |r,wD:3.2,(8.55,-7.08,;9.32,-5.75,;10.09,-7.08,;7.98,-4.98,;7.98,-3.44,;6.65,-2.67,;5.32,-3.44,;5.32,-4.98,;6.65,-5.75,;3.98,-2.67,;2.65,-3.44,;1.32,-2.67,;1.32,-1.13,;2.65,-.36,;3.98,-1.13,;-.02,-.36,;-.02,1.18,;-1.35,1.95,;-2.69,1.18,;-4.15,1.66,;-5.06,.41,;-4.15,-.83,;-2.69,-.36,;-1.35,-1.13,;-6.59,.41,;-7.37,-.92,;-7.37,1.75,;-8.91,1.75,;-9.67,3.08,;-11.22,3.08,;-11.99,4.41,;-11.22,5.75,;-11.99,7.08,;-13.53,7.08,;-15.07,7.08,;-13.53,5.54,;-13.53,8.62,;-9.67,5.75,;-8.91,4.41,;10.65,-4.98,;11.99,-5.75,;10.65,-3.44,)| Show InChI InChI=1S/C32H32F3N3O4/c1-31(2,30(40)41)25-12-9-22(10-13-25)21-5-7-23(8-6-21)24-11-16-28-37-27(19-38(28)18-24)29(39)36-17-20-3-14-26(15-4-20)42-32(33,34)35/h3-8,11,14-16,18-19,22,25H,9-10,12-13,17H2,1-2H3,(H,36,39)(H,40,41)/t22?,25- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209533
(US9271969, 21)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NC1(CC1)c1cc(F)ccc1F |r,wD:4.3,(11.21,-5.75,;9.88,-4.98,;9.88,-3.44,;8.55,-5.75,;7.21,-4.98,;7.21,-3.44,;5.88,-2.67,;4.55,-3.44,;4.55,-4.98,;5.88,-5.75,;3.21,-2.67,;1.88,-3.44,;.55,-2.67,;.55,-1.13,;1.88,-.36,;3.21,-1.13,;-.79,-.36,;-.79,1.18,;-2.12,1.95,;-3.46,1.18,;-4.92,1.66,;-5.82,.41,;-4.92,-.83,;-3.46,-.36,;-2.12,-1.13,;-7.36,.41,;-8.13,-.92,;-8.13,1.75,;-9.67,1.75,;-10.44,.41,;-11.21,1.75,;-8.9,3.08,;-7.36,3.08,;-6.59,4.41,;-5.05,4.41,;-7.36,5.75,;-8.9,5.75,;-9.67,4.41,;-11.21,4.41,)| Show InChI InChI=1S/C31H29F2N3O3/c32-24-10-11-26(33)25(16-24)31(13-14-31)35-30(39)27-18-36-17-23(9-12-28(36)34-27)22-7-5-21(6-8-22)20-3-1-19(2-4-20)15-29(37)38/h5-12,16-20H,1-4,13-15H2,(H,35,39)(H,37,38)/t19-,20? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209542
(US9271969, 30)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1C(F)(F)F |r,wD:4.3,(12.04,-5.81,;10.56,-5.01,;10.56,-3.47,;9.26,-5.69,;7.93,-4.92,;7.93,-3.38,;6.59,-2.61,;5.26,-3.38,;5.26,-4.92,;6.59,-5.69,;3.93,-2.61,;2.59,-3.38,;1.26,-2.61,;1.26,-1.07,;2.59,-.3,;3.93,-1.07,;-.08,-.3,;-.08,1.24,;-1.41,2.01,;-2.74,1.24,;-4.21,1.72,;-5.11,.47,;-4.21,-.78,;-2.74,-.3,;-1.41,-1.07,;-6.65,.47,;-7.42,-.86,;-7.42,1.8,;-8.96,1.8,;-9.73,3.14,;-8.96,4.47,;-7.42,4.47,;-9.73,5.81,;-11.27,5.81,;-12.04,4.47,;-11.27,3.14,;-12.04,1.8,;-12.81,.47,;-10.71,1.03,;-13.38,2.57,)| Show InChI InChI=1S/C30H27ClF3N3O3/c31-25-3-1-2-24(30(32,33)34)23(25)15-35-29(40)26-17-37-16-22(12-13-27(37)36-26)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-28(38)39/h1-3,8-13,16-19H,4-7,14-15H2,(H,35,40)(H,38,39)/t18-,19? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209554
(US9271969, 42)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(F)cc(Cl)cc1F |r,wD:4.3,(11.99,-6.41,;10.65,-5.64,;10.65,-4.1,;9.32,-6.41,;7.98,-5.64,;7.98,-4.1,;6.65,-3.33,;5.32,-4.1,;5.32,-5.64,;6.65,-6.41,;3.98,-3.33,;2.65,-4.1,;1.32,-3.33,;1.32,-1.79,;2.65,-1.02,;3.98,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-6.6,-.25,;-7.37,-1.59,;-7.37,1.08,;-8.91,1.08,;-9.68,2.41,;-11.22,2.41,;-11.99,1.08,;-11.99,3.75,;-11.22,5.08,;-11.99,6.41,;-9.68,5.08,;-8.91,3.75,;-7.37,3.75,)| Show InChI InChI=1S/C29H26ClF2N3O3/c30-22-12-24(31)23(25(32)13-22)14-33-29(38)26-16-35-15-21(9-10-27(35)34-26)20-7-5-19(6-8-20)18-3-1-17(2-4-18)11-28(36)37/h5-10,12-13,15-18H,1-4,11,14H2,(H,33,38)(H,36,37)/t17-,18? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209555
(US9271969, 43)Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:31.35,(-7.37,3.75,;-8.91,3.75,;-9.68,5.08,;-11.22,5.08,;-11.99,6.41,;-11.99,3.75,;-11.22,2.41,;-11.99,1.08,;-9.68,2.41,;-8.91,1.08,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,)| Show InChI InChI=1S/C30H29Cl2N3O3/c1-18-12-24(31)14-26(32)25(18)15-33-30(38)27-17-35-16-23(10-11-28(35)34-27)22-8-6-21(7-9-22)20-4-2-19(3-5-20)13-29(36)37/h6-12,14,16-17,19-20H,2-5,13,15H2,1H3,(H,33,38)(H,36,37)/t19-,20? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209556
(US9271969, 44)Show SMILES Cc1cc(C)c(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(C)c1 |r,wD:28.31,(-11.99,6.41,;-11.22,5.08,;-11.99,3.75,;-11.22,2.41,;-11.99,1.08,;-9.68,2.41,;-8.91,1.08,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,;-8.91,3.75,;-7.37,3.75,;-9.68,5.08,)| Show InChI InChI=1S/C32H35N3O3/c1-20-14-21(2)28(22(3)15-20)17-33-32(38)29-19-35-18-27(12-13-30(35)34-29)26-10-8-25(9-11-26)24-6-4-23(5-7-24)16-31(36)37/h8-15,18-19,23-24H,4-7,16-17H2,1-3H3,(H,33,38)(H,36,37)/t23-,24? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209564
(US9271969, 52)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)Nc1cccc(OC(F)(F)F)c1 |r,wU:7.10,wD:4.3,(12.35,2,;10.88,2,;10.11,3.33,;10.11,.67,;8.57,.67,;7.8,2,;6.26,2,;5.49,.67,;6.26,-.67,;7.8,-.67,;3.95,.67,;3.18,-.67,;1.64,-.67,;.87,.67,;1.64,2,;3.18,2,;-.67,.67,;-1.58,-.58,;-3.05,-.1,;-4.51,-.58,;-5.41,.67,;-4.51,1.91,;-3.05,1.44,;-1.58,1.91,;-6.96,.67,;-7.73,2,;-7.73,-.67,;-9.27,-.67,;-10.04,.67,;-11.58,.67,;-12.35,-.67,;-11.58,-2,;-12.35,-3.33,;-13.89,-3.33,;-15.43,-3.33,;-13.89,-4.87,;-13.49,-1.85,;-10.04,-2,)| Show InChI InChI=1S/C27H24F3N3O4S/c28-27(29,30)37-21-3-1-2-20(13-21)31-25(36)22-14-33-15-23(38-26(33)32-22)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-24(34)35/h1-3,8-11,13-17H,4-7,12H2,(H,31,36)(H,34,35)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209573
(US9271969, 61)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(Cl)cccc1Cl |r,wU:7.10,wD:4.3,(12.38,2.67,;10.84,2.67,;10.07,4,;10.07,1.33,;8.53,1.33,;7.76,2.67,;6.22,2.67,;5.45,1.33,;6.22,,;7.76,,;3.91,1.33,;3.14,2.67,;1.6,2.67,;.83,1.33,;1.6,,;3.14,,;-.71,1.33,;-1.62,.09,;-3.08,.56,;-4.54,.09,;-5.45,1.33,;-4.54,2.58,;-3.08,2.1,;-1.62,2.58,;-6.99,1.33,;-7.76,2.67,;-7.76,,;-9.3,,;-10.07,-1.33,;-11.61,-1.33,;-12.38,,;-12.38,-2.67,;-11.61,-4,;-10.07,-4,;-9.3,-2.67,;-7.76,-2.67,)| Show InChI InChI=1S/C27H25Cl2N3O3S/c28-21-2-1-3-22(29)20(21)13-30-26(35)23-14-32-15-24(36-27(32)31-23)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-25(33)34/h1-3,8-11,14-17H,4-7,12-13H2,(H,30,35)(H,33,34)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209576
(US9271969, 64)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(F)cc(Cl)cc1F |r,wU:7.10,wD:4.3,(12.38,3.33,;10.84,3.33,;10.07,4.67,;10.07,2,;8.53,2,;7.76,3.33,;6.22,3.33,;5.45,2,;6.22,.67,;7.76,.67,;3.91,2,;3.14,3.33,;1.6,3.33,;.83,2,;1.6,.67,;3.14,.67,;-.71,2,;-1.62,.75,;-3.08,1.23,;-4.54,.75,;-5.45,2,;-4.54,3.25,;-3.08,2.77,;-1.62,3.25,;-6.99,2,;-7.76,3.33,;-7.76,.67,;-9.3,.67,;-10.07,-.67,;-11.61,-.67,;-12.38,.67,;-12.38,-2,;-11.61,-3.33,;-12.38,-4.67,;-10.07,-3.33,;-9.3,-2,;-7.76,-2,)| Show InChI InChI=1S/C27H24ClF2N3O3S/c28-19-10-21(29)20(22(30)11-19)12-31-26(36)23-13-33-14-24(37-27(33)32-23)18-7-5-17(6-8-18)16-3-1-15(2-4-16)9-25(34)35/h5-8,10-11,13-16H,1-4,9,12H2,(H,31,36)(H,34,35)/t15-,16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description
Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this
Ligand-Target Pair | |
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