Found 464 hits with Last Name = 'mciver' and Initial = 'a' 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 |
|---|
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444240
(CHEMBL3093635)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:29.30,wD:32.34,(.04,-21.39,;1.37,-20.63,;2.71,-21.4,;4.04,-20.63,;5.37,-21.4,;6.71,-20.63,;8.04,-21.4,;9.38,-20.63,;9.37,-19.08,;10.7,-18.3,;10.7,-16.76,;12.04,-19.07,;13.37,-18.29,;14.71,-19.07,;16.03,-18.29,;16.03,-16.75,;14.68,-15.99,;13.36,-16.76,;17.36,-15.97,;16.58,-14.63,;18.13,-14.62,;18.7,-16.74,;18.69,-18.27,;20.02,-19.03,;21.36,-18.26,;21.35,-16.72,;20.01,-15.95,;8.04,-18.32,;8.03,-16.78,;6.7,-16.01,;5.36,-16.79,;4.03,-16.01,;4.03,-14.47,;2.69,-13.7,;5.36,-13.71,;6.69,-14.47,;6.71,-19.09,)| Show InChI InChI=1S/C25H37N7O4S/c1-2-3-12-27-25-28-17-22(23(31-25)29-19-6-4-18(26)5-7-19)24(33)30-20-8-10-21(11-9-20)37(34,35)32-13-15-36-16-14-32/h8-11,17-19H,2-7,12-16,26H2,1H3,(H,30,33)(H2,27,28,29,31)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444253
(CHEMBL3093648)Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(19.76,-36.09,;21.1,-35.32,;22.43,-36.09,;23.76,-35.32,;25.1,-36.09,;26.43,-35.32,;27.76,-36.09,;29.1,-35.32,;29.1,-33.77,;30.43,-33,;30.42,-31.46,;31.76,-33.76,;33.09,-32.99,;34.43,-33.76,;35.76,-32.99,;35.76,-31.45,;34.42,-30.68,;33.08,-31.45,;37.09,-30.68,;38.42,-31.45,;39.75,-30.68,;39.75,-29.14,;38.41,-28.37,;37.08,-29.14,;27.76,-33.01,;27.76,-31.47,;26.42,-30.7,;25.09,-31.48,;23.75,-30.71,;23.75,-29.16,;22.42,-28.39,;25.08,-28.4,;26.41,-29.16,;26.43,-33.78,)| Show InChI InChI=1S/C24H36N8O2/c1-2-3-11-25-23-28-16-20(21(31-23)29-17-5-7-19(33)8-6-17)22(34)30-18-9-14-32(15-10-18)24-26-12-4-13-27-24/h4,12-13,16-19,33H,2-3,5-11,14-15H2,1H3,(H,30,34)(H2,25,28,29,31)/t17-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444241
(CHEMBL3093756 | US9649309, Compound UNC2881A)Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)| Show InChI InChI=1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444242
(CHEMBL3093755)Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.25,wD:28.29,(24.27,-9.22,;25.6,-8.45,;26.93,-9.22,;28.27,-8.45,;29.6,-9.22,;30.94,-8.45,;32.27,-9.22,;33.61,-8.45,;33.6,-6.9,;34.93,-6.12,;34.93,-4.58,;36.27,-6.89,;37.6,-6.11,;38.94,-6.88,;38.94,-8.42,;40.27,-9.18,;41.6,-8.41,;41.59,-6.86,;40.26,-6.1,;42.94,-9.17,;44.27,-8.39,;43.7,-10.5,;42.17,-10.5,;32.27,-6.14,;32.26,-4.6,;30.93,-3.83,;29.59,-4.61,;28.25,-3.84,;28.25,-2.29,;26.92,-1.52,;29.59,-1.53,;30.92,-2.29,;30.94,-6.91,)| Show InChI InChI=1S/C22H32N6O4S/c1-2-3-12-24-22-26-14-19(20(28-22)27-16-6-8-17(29)9-7-16)21(30)25-13-15-4-10-18(11-5-15)33(23,31)32/h4-5,10-11,14,16-17,29H,2-3,6-9,12-13H2,1H3,(H,25,30)(H2,23,31,32)(H2,24,26,27,28)/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444244
(CHEMBL3093753)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(46.77,-58.29,;48.1,-57.52,;49.43,-58.29,;50.77,-57.52,;52.1,-58.3,;53.43,-57.53,;54.77,-58.3,;56.11,-57.53,;56.1,-55.98,;57.43,-55.2,;57.43,-53.66,;58.77,-55.97,;60.1,-55.19,;61.43,-55.96,;62.76,-55.19,;62.76,-53.65,;61.41,-52.88,;60.09,-53.66,;64.09,-52.87,;64.85,-51.53,;63.31,-51.54,;65.42,-53.63,;65.42,-55.17,;66.75,-55.93,;68.08,-55.16,;68.08,-53.62,;66.74,-52.85,;54.76,-55.21,;54.76,-53.67,;53.42,-52.91,;52.09,-53.69,;50.75,-52.91,;50.75,-51.37,;49.42,-50.6,;52.09,-50.6,;53.42,-51.37,;53.44,-55.98,)| Show InChI InChI=1S/C25H36N6O5S/c1-2-3-12-26-25-27-17-22(23(30-25)28-18-4-8-20(32)9-5-18)24(33)29-19-6-10-21(11-7-19)37(34,35)31-13-15-36-16-14-31/h6-7,10-11,17-18,20,32H,2-5,8-9,12-16H2,1H3,(H,29,33)(H2,26,27,28,30)/t18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444245
(CHEMBL3093752)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(21.61,-58.16,;22.95,-57.39,;24.28,-58.16,;25.61,-57.39,;26.95,-58.16,;28.28,-57.39,;29.62,-58.16,;30.95,-57.39,;30.95,-55.84,;32.28,-55.07,;32.27,-53.53,;33.61,-55.83,;34.95,-55.06,;36.28,-55.83,;37.61,-55.06,;37.6,-53.51,;38.93,-52.74,;40.27,-53.5,;40.27,-55.03,;41.6,-55.8,;42.93,-55.03,;42.93,-53.49,;41.59,-52.71,;36.26,-52.75,;34.93,-53.53,;29.61,-55.08,;29.61,-53.54,;28.27,-52.77,;26.94,-53.55,;25.6,-52.78,;25.6,-51.24,;24.27,-50.47,;26.94,-50.47,;28.26,-51.23,;28.28,-55.85,)| Show InChI InChI=1S/C26H38N6O3/c1-2-3-12-27-26-28-17-23(24(31-26)29-20-8-10-22(33)11-9-20)25(34)30-21-6-4-19(5-7-21)18-32-13-15-35-16-14-32/h4-7,17,20,22,33H,2-3,8-16,18H2,1H3,(H,30,34)(H2,27,28,29,31)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444271
(CHEMBL3093627)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(NCCC2CC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(51.32,-15.73,;52.65,-16.5,;52.65,-18.04,;53.99,-18.82,;55.31,-18.05,;55.31,-16.5,;53.98,-15.73,;56.65,-18.81,;56.65,-20.35,;55.32,-21.12,;55.32,-22.67,;53.99,-23.44,;52.65,-22.66,;51.32,-23.43,;49.99,-22.66,;49.22,-21.33,;48.45,-22.66,;56.66,-23.44,;57.99,-22.67,;57.99,-21.12,;59.32,-20.34,;59.31,-18.8,;60.65,-21.11,;61.99,-20.33,;63.32,-21.1,;64.65,-20.33,;64.64,-18.79,;63.3,-18.02,;61.97,-18.8,;65.97,-18,;65.2,-16.67,;66.74,-16.66,;67.31,-18.77,;67.31,-20.31,;68.64,-21.07,;69.97,-20.3,;69.97,-18.76,;68.63,-17.99,)| Show InChI InChI=1S/C26H36N6O5S/c33-21-7-3-19(4-8-21)29-24-23(17-28-26(31-24)27-12-11-18-1-2-18)25(34)30-20-5-9-22(10-6-20)38(35,36)32-13-15-37-16-14-32/h5-6,9-10,17-19,21,33H,1-4,7-8,11-16H2,(H,30,34)(H2,27,28,29,31)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444251
(CHEMBL3093746 | US9649309, Compound UNC2602A)Show SMILES CCCCNc1ncc(C(=O)NC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(54.57,-35.57,;55.9,-34.8,;57.23,-35.58,;58.57,-34.81,;59.9,-35.58,;61.23,-34.81,;62.57,-35.58,;63.91,-34.81,;63.9,-33.26,;65.23,-32.48,;65.23,-30.94,;66.57,-33.25,;67.9,-32.47,;69.23,-33.24,;70.56,-32.47,;70.56,-30.93,;69.23,-30.16,;67.89,-30.94,;62.57,-32.49,;62.56,-30.95,;61.22,-30.19,;59.89,-30.97,;58.55,-30.19,;58.55,-28.65,;57.22,-27.88,;59.89,-27.88,;61.22,-28.65,;61.24,-33.26,)| Show InChI InChI=1S/C21H35N5O2/c1-2-3-13-22-21-23-14-18(20(28)25-15-7-5-4-6-8-15)19(26-21)24-16-9-11-17(27)12-10-16/h14-17,27H,2-13H2,1H3,(H,25,28)(H2,22,23,24,26)/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444254
(CHEMBL3093763)Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CC2)C(C)C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(.87,-34.95,;2.2,-34.18,;3.54,-34.95,;4.87,-34.19,;6.21,-34.96,;7.54,-34.19,;8.87,-34.96,;10.21,-34.19,;10.21,-32.64,;11.54,-31.86,;11.53,-30.32,;12.87,-32.63,;14.2,-31.85,;15.54,-32.62,;16.86,-31.85,;16.87,-30.31,;15.53,-29.54,;14.19,-30.31,;18.2,-29.54,;19.53,-30.31,;18.2,-28,;8.87,-31.87,;8.87,-30.33,;7.53,-29.57,;6.2,-30.35,;4.86,-29.57,;4.86,-28.03,;3.52,-27.26,;6.19,-27.26,;7.52,-28.03,;7.54,-32.64,)| Show InChI InChI=1S/C23H40N6O2/c1-4-5-12-24-23-25-15-20(21(28-23)26-17-6-8-19(30)9-7-17)22(31)27-18-10-13-29(14-11-18)16(2)3/h15-19,30H,4-14H2,1-3H3,(H,27,31)(H2,24,25,26,28)/t17-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444256
(CHEMBL3093761)Show SMILES CCCCNc1ncc(C(=O)NC2CCNCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(37.14,-23.53,;38.48,-22.76,;39.81,-23.53,;41.15,-22.76,;42.48,-23.53,;43.81,-22.76,;45.15,-23.53,;46.48,-22.76,;46.48,-21.21,;47.81,-20.43,;47.8,-18.9,;49.15,-21.2,;50.48,-20.42,;51.81,-21.2,;53.14,-20.43,;53.14,-18.89,;51.8,-18.12,;50.47,-18.89,;45.14,-20.45,;45.14,-18.91,;43.8,-18.14,;42.47,-18.92,;41.13,-18.15,;41.13,-16.6,;39.8,-15.83,;42.47,-15.84,;43.8,-16.6,;43.82,-21.22,)| Show InChI InChI=1S/C20H34N6O2/c1-2-3-10-22-20-23-13-17(19(28)25-15-8-11-21-12-9-15)18(26-20)24-14-4-6-16(27)7-5-14/h13-16,21,27H,2-12H2,1H3,(H,25,28)(H2,22,23,24,26)/t14-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444273
(CHEMBL3093625)Show SMILES CCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(2.34,-21.85,;3.67,-22.62,;5,-21.85,;6.34,-22.62,;7.67,-21.85,;9.01,-22.62,;10.34,-21.85,;10.34,-20.3,;11.67,-19.52,;11.66,-17.98,;13,-20.29,;14.34,-19.51,;15.67,-20.29,;17,-19.51,;16.99,-17.97,;15.65,-17.21,;14.32,-17.98,;18.32,-17.19,;17.55,-15.85,;19.09,-15.85,;19.66,-17.96,;19.66,-19.49,;20.99,-20.25,;22.32,-19.48,;22.32,-17.94,;20.98,-17.17,;9,-19.54,;9,-18,;7.66,-17.23,;6.34,-18,;5,-17.23,;5,-15.69,;3.67,-14.91,;6.33,-14.92,;7.66,-15.68,;7.67,-20.31,)| Show InChI InChI=1S/C24H34N6O5S/c1-2-11-25-24-26-16-21(22(29-24)27-17-3-7-19(31)8-4-17)23(32)28-18-5-9-20(10-6-18)36(33,34)30-12-14-35-15-13-30/h5-6,9-10,16-17,19,31H,2-4,7-8,11-15H2,1H3,(H,28,32)(H2,25,26,27,29)/t17-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444252
(CHEMBL3093649)Show SMILES CCCCNc1ncc(C(=O)NC2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(39.42,-35.6,;40.75,-34.83,;42.08,-35.6,;43.42,-34.83,;44.75,-35.6,;46.08,-34.83,;47.42,-35.6,;48.76,-34.83,;48.75,-33.28,;50.08,-32.51,;50.08,-30.97,;51.42,-33.27,;52.75,-32.5,;54.08,-33.27,;55.41,-32.5,;55.41,-30.96,;54.07,-30.19,;52.74,-30.96,;47.41,-32.52,;47.41,-30.98,;46.07,-30.21,;44.74,-30.99,;43.4,-30.22,;43.4,-28.67,;42.07,-27.9,;44.74,-27.91,;46.07,-28.67,;46.09,-33.29,)| Show InChI InChI=1S/C20H33N5O3/c1-2-3-10-21-20-22-13-17(19(27)24-15-8-11-28-12-9-15)18(25-20)23-14-4-6-16(26)7-5-14/h13-16,26H,2-12H2,1H3,(H,24,27)(H2,21,22,23,25)/t14-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444243
(CHEMBL3093754)Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(1.93,-9.16,;3.26,-8.39,;4.6,-9.16,;5.93,-8.39,;7.26,-9.17,;8.6,-8.4,;9.93,-9.17,;11.27,-8.4,;11.26,-6.85,;12.59,-6.07,;12.59,-4.53,;13.93,-6.84,;15.26,-6.06,;16.6,-6.83,;16.6,-8.36,;17.93,-9.13,;19.27,-8.35,;20.6,-9.12,;19.26,-6.8,;17.92,-6.05,;9.93,-6.08,;9.92,-4.54,;8.59,-3.78,;7.25,-4.56,;5.92,-3.78,;5.92,-2.24,;4.58,-1.47,;7.25,-1.47,;8.58,-2.24,;8.6,-6.85,)| Show InChI InChI=1S/C22H30FN5O2/c1-2-3-12-24-22-26-14-19(20(28-22)27-17-8-10-18(29)11-9-17)21(30)25-13-15-4-6-16(23)7-5-15/h4-7,14,17-18,29H,2-3,8-13H2,1H3,(H,25,30)(H2,24,26,27,28)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444246
(CHEMBL3093751)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-.47,-58.49,;.87,-57.72,;2.21,-58.49,;3.54,-57.72,;4.87,-58.49,;6.21,-57.72,;7.54,-58.49,;8.88,-57.72,;8.87,-56.17,;10.21,-55.4,;10.2,-53.86,;11.54,-56.16,;12.87,-55.39,;14.21,-56.16,;15.54,-55.38,;15.53,-53.84,;14.18,-53.08,;12.86,-53.86,;16.86,-53.07,;18.19,-53.83,;19.52,-53.06,;19.52,-51.52,;18.18,-50.75,;16.84,-51.53,;7.54,-55.41,;7.53,-53.87,;6.2,-53.1,;4.86,-53.88,;3.53,-53.11,;3.53,-51.57,;2.19,-50.8,;4.86,-50.8,;6.19,-51.56,;6.21,-56.18,)| Show InChI InChI=1S/C25H36N6O3/c1-2-3-12-26-25-27-17-22(23(30-25)28-18-6-10-21(32)11-7-18)24(33)29-19-4-8-20(9-5-19)31-13-15-34-16-14-31/h4-5,8-9,17-18,21,32H,2-3,6-7,10-16H2,1H3,(H,29,33)(H2,26,27,28,30)/t18-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444249
(CHEMBL3093748 | US9649309, Compound UNC2776A)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)| Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444241
(CHEMBL3093756 | US9649309, Compound UNC2881A)Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)| Show InChI InChI=1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase phosphorylation in human 697 B-ALL cells after 1 hr by Western blot analysis |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444260
(CHEMBL3093757)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(35.28,-9.93,;36.61,-9.16,;37.95,-9.93,;39.28,-9.16,;40.61,-9.93,;41.95,-9.17,;43.28,-9.94,;44.62,-9.17,;44.61,-7.61,;45.94,-6.84,;45.94,-5.3,;47.28,-7.6,;48.61,-6.83,;49.94,-7.6,;51.27,-6.83,;51.27,-5.29,;52.6,-4.51,;49.92,-4.52,;48.6,-5.3,;43.28,-6.85,;43.27,-5.31,;41.94,-4.55,;40.6,-5.33,;39.27,-4.55,;39.26,-3.01,;37.93,-2.24,;40.6,-2.24,;41.93,-3.01,;41.95,-7.62,)| Show InChI InChI=1S/C21H28FN5O2/c1-2-3-12-23-21-24-13-18(20(29)26-16-6-4-14(22)5-7-16)19(27-21)25-15-8-10-17(28)11-9-15/h4-7,13,15,17,28H,2-3,8-12H2,1H3,(H,26,29)(H2,23,24,25,27)/t15-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444268
(CHEMBL3093630)Show SMILES CC(C)Nc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(51.96,-34.69,;53.29,-33.92,;53.29,-32.38,;54.62,-34.69,;55.96,-33.92,;57.29,-34.69,;58.63,-33.92,;58.62,-32.37,;59.95,-31.59,;59.95,-30.05,;61.29,-32.36,;62.62,-31.58,;63.95,-32.35,;65.28,-31.58,;65.28,-30.04,;63.93,-29.28,;62.61,-30.05,;66.61,-29.26,;65.83,-27.92,;67.38,-27.91,;67.95,-30.03,;67.94,-31.56,;69.27,-32.32,;70.61,-31.55,;70.6,-30.01,;69.26,-29.24,;57.29,-31.6,;57.28,-30.07,;55.95,-29.3,;54.62,-30.07,;53.29,-29.3,;53.28,-27.75,;51.95,-26.98,;54.62,-26.99,;55.95,-27.75,;55.96,-32.38,)| Show InChI InChI=1S/C24H34N6O5S/c1-16(2)26-24-25-15-21(22(29-24)27-17-3-7-19(31)8-4-17)23(32)28-18-5-9-20(10-6-18)36(33,34)30-11-13-35-14-12-30/h5-6,9-10,15-17,19,31H,3-4,7-8,11-14H2,1-2H3,(H,28,32)(H2,25,26,27,29)/t17-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444272
(CHEMBL3093626)Show SMILES CCCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:30.31,wD:33.35,(23.85,-22.37,;25.18,-23.14,;26.52,-22.37,;27.85,-23.14,;29.18,-22.37,;30.52,-23.14,;31.85,-22.37,;33.19,-23.14,;34.52,-22.37,;34.52,-20.82,;35.85,-20.05,;35.84,-18.51,;37.18,-20.81,;38.52,-20.04,;39.85,-20.81,;41.18,-20.03,;41.17,-18.49,;39.83,-17.73,;38.5,-18.51,;42.5,-17.71,;41.73,-16.37,;43.27,-16.37,;43.84,-18.48,;43.84,-20.01,;45.17,-20.78,;46.5,-20.01,;46.5,-18.46,;45.16,-17.69,;33.18,-20.06,;33.18,-18.52,;31.84,-17.75,;30.52,-18.52,;29.18,-17.75,;29.18,-16.21,;27.84,-15.44,;30.51,-15.44,;31.84,-16.2,;31.85,-20.83,)| Show InChI InChI=1S/C26H38N6O5S/c1-2-3-4-13-27-26-28-18-23(24(31-26)29-19-5-9-21(33)10-6-19)25(34)30-20-7-11-22(12-8-20)38(35,36)32-14-16-37-17-15-32/h7-8,11-12,18-19,21,33H,2-6,9-10,13-17H2,1H3,(H,30,34)(H2,27,28,29,31)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444248
(CHEMBL3093749)Show SMILES CCCCNc1ncc(C(=O)Nc2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(37.13,-46.79,;38.46,-46.02,;39.8,-46.79,;41.13,-46.02,;42.46,-46.79,;43.8,-46.02,;45.13,-46.79,;46.47,-46.02,;46.46,-44.47,;47.79,-43.7,;47.79,-42.16,;49.13,-44.46,;50.46,-43.69,;50.45,-42.16,;51.77,-41.38,;53.12,-42.14,;53.12,-43.68,;54.46,-44.45,;55.79,-43.68,;51.79,-44.46,;45.13,-43.71,;45.12,-42.17,;43.79,-41.4,;42.45,-42.18,;41.12,-41.41,;41.12,-39.87,;39.78,-39.1,;42.45,-39.1,;43.78,-39.86,;43.8,-44.48,)| Show InChI InChI=1S/C22H31N5O3/c1-3-4-12-23-22-24-14-19(20(27-22)25-15-8-10-17(28)11-9-15)21(29)26-16-6-5-7-18(13-16)30-2/h5-7,13-15,17,28H,3-4,8-12H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567821
(CHEMBL4875277)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(=O)C1 |(61.23,-13.13,;59.88,-12.39,;58.57,-13.2,;58.61,-14.74,;57.3,-15.55,;55.94,-14.81,;55.9,-13.28,;54.55,-12.54,;53.23,-13.34,;57.22,-12.47,;57.18,-10.93,;55.85,-10.17,;54.52,-10.95,;53.02,-10.54,;52.63,-9.05,;51.93,-11.62,;55.85,-8.63,;57.18,-7.86,;58.51,-8.63,;59.84,-7.86,;61.25,-8.49,;62.28,-7.35,;61.52,-6.01,;60.01,-6.33,;63.8,-7.52,;64.43,-8.93,;65.96,-9.09,;66.87,-7.85,;68.4,-8.01,;66.24,-6.44,;64.71,-6.28,;58.51,-10.17,;59.84,-10.95,;54.52,-7.87,;53.18,-8.64,;54.51,-6.33,;55.84,-5.56,;55.84,-4.02,;54.51,-3.25,;53.17,-4.02,;51.84,-3.25,;53.17,-5.57,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444284
(CHEMBL3093637 | US9649309, Compound UNC2084A)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1 Show InChI InChI=1S/C25H37N7O4S/c1-2-3-10-27-25-29-18-22(23(31-25)28-17-19-8-11-26-12-9-19)24(33)30-20-4-6-21(7-5-20)37(34,35)32-13-15-36-16-14-32/h4-7,18-19,26H,2-3,8-17H2,1H3,(H,30,33)(H2,27,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444274
(CHEMBL3093647)Show SMILES CCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(50.31,-10.83,;51.65,-10.06,;52.98,-10.83,;54.31,-10.06,;55.65,-10.83,;56.98,-10.06,;56.98,-8.51,;58.31,-7.73,;58.3,-6.19,;59.65,-8.5,;60.98,-7.72,;62.31,-8.5,;63.64,-7.72,;63.64,-6.18,;62.29,-5.42,;60.97,-6.19,;64.96,-5.4,;64.19,-4.06,;65.73,-4.06,;66.3,-6.17,;66.3,-7.7,;67.63,-8.46,;68.96,-7.69,;68.96,-6.15,;67.62,-5.38,;55.64,-7.75,;55.64,-6.21,;54.3,-5.44,;52.98,-6.21,;51.64,-5.44,;51.64,-3.89,;50.31,-3.12,;52.98,-3.13,;54.3,-3.89,;54.31,-8.52,)| Show InChI InChI=1S/C23H32N6O5S/c1-2-24-23-25-15-20(21(28-23)26-16-3-7-18(30)8-4-16)22(31)27-17-5-9-19(10-6-17)35(32,33)29-11-13-34-14-12-29/h5-6,9-10,15-16,18,30H,2-4,7-8,11-14H2,1H3,(H,27,31)(H2,24,25,26,28)/t16-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567816
(CHEMBL4851708)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1C |(16.32,-26.44,;14.96,-25.71,;13.65,-26.52,;13.7,-28.05,;12.38,-28.87,;11.02,-28.13,;10.99,-26.59,;9.63,-25.86,;8.32,-26.66,;12.3,-25.79,;12.26,-24.25,;10.94,-23.49,;9.6,-24.26,;8.1,-23.85,;7.71,-22.37,;7.01,-24.94,;10.94,-21.95,;12.26,-21.17,;13.59,-21.95,;14.93,-21.18,;16.33,-21.81,;17.37,-20.67,;16.6,-19.33,;15.09,-19.65,;18.89,-20.83,;19.51,-22.24,;21.04,-22.41,;21.95,-21.17,;23.48,-21.33,;21.32,-19.75,;19.79,-19.59,;13.59,-23.49,;14.93,-24.26,;9.6,-21.18,;8.27,-21.96,;9.6,-19.64,;10.92,-18.87,;10.92,-17.34,;9.59,-16.56,;8.26,-17.34,;8.25,-18.88,;6.92,-19.65,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567821
(CHEMBL4875277)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(=O)C1 |(61.23,-13.13,;59.88,-12.39,;58.57,-13.2,;58.61,-14.74,;57.3,-15.55,;55.94,-14.81,;55.9,-13.28,;54.55,-12.54,;53.23,-13.34,;57.22,-12.47,;57.18,-10.93,;55.85,-10.17,;54.52,-10.95,;53.02,-10.54,;52.63,-9.05,;51.93,-11.62,;55.85,-8.63,;57.18,-7.86,;58.51,-8.63,;59.84,-7.86,;61.25,-8.49,;62.28,-7.35,;61.52,-6.01,;60.01,-6.33,;63.8,-7.52,;64.43,-8.93,;65.96,-9.09,;66.87,-7.85,;68.4,-8.01,;66.24,-6.44,;64.71,-6.28,;58.51,-10.17,;59.84,-10.95,;54.52,-7.87,;53.18,-8.64,;54.51,-6.33,;55.84,-5.56,;55.84,-4.02,;54.51,-3.25,;53.17,-4.02,;51.84,-3.25,;53.17,-5.57,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444247
(CHEMBL3093750 | US9649309, Compound UNC2775A)Show SMILES CCCCNc1ncc(C(=O)Nc2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(54.22,-47.24,;55.55,-46.47,;56.88,-47.24,;58.22,-46.47,;59.55,-47.24,;60.88,-46.47,;62.22,-47.25,;63.56,-46.47,;63.55,-44.92,;64.88,-44.15,;64.88,-42.61,;66.22,-44.91,;67.55,-44.14,;67.54,-42.61,;68.86,-41.83,;70.21,-42.59,;70.21,-44.14,;68.88,-44.91,;68.88,-46.45,;70.22,-47.22,;62.22,-44.16,;62.21,-42.62,;60.87,-41.85,;59.54,-42.63,;58.2,-41.86,;58.2,-40.32,;56.87,-39.55,;59.54,-39.55,;60.87,-40.32,;60.89,-44.93,)| Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-17(20(27-22)25-15-9-11-16(28)12-10-15)21(29)26-18-7-5-6-8-19(18)30-2/h5-8,14-16,28H,3-4,9-13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444262
(CHEMBL3093764)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(.7,-12.07,;2.03,-11.3,;3.37,-12.07,;4.7,-11.3,;6.03,-12.07,;7.37,-11.31,;8.7,-12.08,;10.04,-11.3,;10.03,-9.75,;11.37,-8.98,;11.36,-7.44,;12.7,-9.74,;14.03,-8.97,;15.37,-9.74,;16.7,-8.97,;16.69,-7.43,;18.02,-6.65,;15.35,-6.66,;14.02,-7.44,;8.7,-8.99,;8.69,-7.45,;7.36,-6.68,;7.35,-5.14,;6.02,-4.38,;6.02,-2.83,;7.36,-2.06,;7.36,-.52,;8.69,-2.83,;8.69,-4.37,;7.37,-9.76,)| Show InChI InChI=1S/C22H31FN6O/c1-2-3-12-25-22-27-14-19(21(30)28-18-10-6-16(23)7-11-18)20(29-22)26-13-15-4-8-17(24)9-5-15/h6-7,10-11,14-15,17H,2-5,8-9,12-13,24H2,1H3,(H,28,30)(H2,25,26,27,29)/t15-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567825
(CHEMBL4861426)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C(N)=O |(81.26,-31.34,;79.9,-30.61,;78.59,-31.42,;78.64,-32.95,;77.32,-33.77,;75.97,-33.03,;75.93,-31.49,;74.58,-30.76,;73.26,-31.56,;77.25,-30.69,;77.21,-29.15,;75.88,-28.39,;74.55,-29.16,;73.05,-28.75,;72.65,-27.27,;71.96,-29.84,;75.88,-26.85,;77.21,-26.07,;78.54,-26.85,;79.87,-26.08,;81.28,-26.71,;82.31,-25.57,;81.54,-24.23,;80.04,-24.55,;83.83,-25.73,;84.45,-27.14,;85.98,-27.31,;86.89,-26.07,;88.42,-26.23,;86.26,-24.65,;84.74,-24.49,;78.54,-28.39,;79.87,-29.16,;74.54,-26.08,;73.21,-26.86,;74.54,-24.54,;75.87,-23.77,;75.87,-22.24,;74.54,-21.46,;73.2,-22.24,;73.2,-23.78,;71.87,-21.46,;71.86,-19.92,;70.53,-22.23,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567815
(CHEMBL4864243)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C)C1 |(16.73,-13.32,;15.37,-12.59,;14.06,-13.4,;14.11,-14.93,;12.79,-15.74,;11.44,-15.01,;11.4,-13.47,;10.04,-12.73,;8.73,-13.54,;12.71,-12.67,;12.67,-11.13,;11.35,-10.37,;10.02,-11.14,;8.52,-10.73,;8.12,-9.24,;7.42,-11.82,;11.35,-8.83,;12.68,-8.05,;14.01,-8.83,;15.34,-8.06,;16.74,-8.69,;17.78,-7.54,;17.01,-6.21,;15.5,-6.52,;19.3,-7.71,;19.92,-9.12,;21.45,-9.29,;22.36,-8.04,;23.89,-8.21,;21.73,-6.63,;20.2,-6.47,;14.01,-10.37,;15.34,-11.14,;10.01,-8.06,;8.68,-8.84,;10.01,-6.52,;11.34,-5.75,;11.34,-4.22,;10,-3.44,;8.67,-4.21,;7.34,-3.44,;8.67,-5.76,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567808
(CHEMBL4860083)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(34.78,-41.41,;33.43,-40.68,;32.11,-41.49,;32.16,-43.02,;30.84,-43.84,;29.49,-43.1,;29.45,-41.56,;28.1,-40.83,;26.78,-41.63,;30.77,-40.76,;30.73,-39.22,;29.4,-38.46,;28.07,-39.23,;26.57,-38.83,;26.17,-37.34,;25.48,-39.91,;29.4,-36.92,;30.73,-36.14,;32.06,-36.92,;33.39,-36.15,;34.8,-36.78,;35.83,-35.64,;35.06,-34.3,;33.56,-34.62,;37.35,-35.8,;37.97,-37.22,;39.5,-37.38,;40.41,-36.14,;41.94,-36.3,;39.78,-34.72,;38.26,-34.56,;32.06,-38.46,;33.39,-39.23,;28.06,-36.15,;26.73,-36.93,;28.06,-34.61,;29.39,-33.84,;29.39,-32.31,;28.06,-31.54,;26.72,-32.31,;26.72,-33.85,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567832
(CHEMBL4878489)Show SMILES CCc1cccc(Cl)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(52.93,-11.96,;54.25,-11.16,;55.6,-11.89,;55.64,-13.43,;56.99,-14.17,;58.31,-13.35,;58.26,-11.82,;59.57,-11.01,;56.91,-11.09,;56.88,-9.55,;55.55,-8.79,;54.22,-9.56,;52.72,-9.15,;52.32,-7.67,;51.63,-10.24,;55.55,-7.25,;56.88,-6.47,;58.21,-7.25,;59.54,-6.48,;60.95,-7.11,;61.98,-5.97,;61.21,-4.63,;59.71,-4.95,;63.5,-6.13,;64.12,-7.54,;65.65,-7.71,;66.56,-6.47,;68.09,-6.63,;65.93,-5.05,;64.41,-4.89,;58.21,-8.79,;59.54,-9.56,;54.21,-6.48,;52.88,-7.26,;54.21,-4.94,;55.55,-4.17,;55.55,-2.64,;54.22,-1.87,;52.88,-2.64,;52.88,-4.18,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567833
(CHEMBL4868649)Show SMILES CCc1ccc(C)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(53.1,-26.6,;54.42,-25.79,;55.77,-26.53,;55.81,-28.07,;57.16,-28.8,;58.48,-27.99,;59.84,-28.72,;58.43,-26.46,;57.09,-25.73,;57.05,-24.19,;55.72,-23.43,;54.39,-24.2,;52.89,-23.79,;52.49,-22.3,;51.8,-24.88,;55.72,-21.89,;57.05,-21.11,;58.38,-21.89,;59.71,-21.11,;61.12,-21.74,;62.15,-20.6,;61.38,-19.27,;59.88,-19.58,;63.67,-20.77,;64.29,-22.18,;65.82,-22.35,;66.73,-21.1,;68.27,-21.27,;66.1,-19.69,;64.58,-19.53,;58.38,-23.43,;59.71,-24.2,;54.38,-21.12,;53.05,-21.89,;54.38,-19.58,;55.72,-18.81,;55.72,-17.28,;54.39,-16.5,;53.05,-17.28,;53.05,-18.82,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567815
(CHEMBL4864243)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C)C1 |(16.73,-13.32,;15.37,-12.59,;14.06,-13.4,;14.11,-14.93,;12.79,-15.74,;11.44,-15.01,;11.4,-13.47,;10.04,-12.73,;8.73,-13.54,;12.71,-12.67,;12.67,-11.13,;11.35,-10.37,;10.02,-11.14,;8.52,-10.73,;8.12,-9.24,;7.42,-11.82,;11.35,-8.83,;12.68,-8.05,;14.01,-8.83,;15.34,-8.06,;16.74,-8.69,;17.78,-7.54,;17.01,-6.21,;15.5,-6.52,;19.3,-7.71,;19.92,-9.12,;21.45,-9.29,;22.36,-8.04,;23.89,-8.21,;21.73,-6.63,;20.2,-6.47,;14.01,-10.37,;15.34,-11.14,;10.01,-8.06,;8.68,-8.84,;10.01,-6.52,;11.34,-5.75,;11.34,-4.22,;10,-3.44,;8.67,-4.21,;7.34,-3.44,;8.67,-5.76,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444267
(CHEMBL3093631)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCCCC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(3.66,-38.22,;4.99,-38.99,;4.99,-40.53,;6.33,-41.3,;7.65,-40.53,;7.65,-38.99,;6.32,-38.22,;8.99,-41.3,;8.99,-42.84,;7.66,-43.61,;7.66,-45.15,;6.33,-45.92,;4.99,-45.15,;4.99,-43.61,;3.67,-42.84,;2.33,-43.6,;2.33,-45.14,;3.66,-45.92,;8.99,-45.92,;10.33,-45.15,;10.33,-43.6,;11.66,-42.83,;11.65,-41.29,;12.99,-43.59,;14.32,-42.82,;15.66,-43.59,;16.99,-42.81,;16.98,-41.27,;15.63,-40.51,;14.31,-41.29,;18.31,-40.49,;17.53,-39.15,;19.08,-39.15,;19.65,-41.26,;19.64,-42.79,;20.97,-43.56,;22.31,-42.79,;22.3,-41.24,;20.96,-40.47,)| Show InChI InChI=1S/C27H38N6O5S/c34-22-10-6-20(7-11-22)29-25-24(18-28-27(32-25)31-19-4-2-1-3-5-19)26(35)30-21-8-12-23(13-9-21)39(36,37)33-14-16-38-17-15-33/h8-9,12-13,18-20,22,34H,1-7,10-11,14-17H2,(H,30,35)(H2,28,29,31,32)/t20-,22- | PDB
MMDB
Reactome pathway
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Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567828
(CHEMBL4854924)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1C2CCC1CNC2 |THB:33:35:41.42.40:37.38,(15.96,-41.01,;14.6,-40.28,;13.29,-41.09,;13.34,-42.62,;12.02,-43.43,;10.67,-42.7,;10.63,-41.16,;9.27,-40.42,;7.96,-41.23,;11.94,-40.36,;11.9,-38.82,;10.58,-38.06,;9.25,-38.83,;7.75,-38.42,;7.35,-36.93,;6.65,-39.51,;10.58,-36.52,;11.91,-35.74,;13.24,-36.52,;14.57,-35.74,;15.97,-36.37,;17.01,-35.23,;16.24,-33.9,;14.73,-34.21,;18.53,-35.4,;19.15,-36.81,;20.68,-36.98,;21.59,-35.73,;23.12,-35.9,;20.96,-34.32,;19.43,-34.16,;13.24,-38.06,;14.57,-38.83,;9.24,-35.75,;7.91,-36.52,;9.24,-34.21,;8.46,-32.85,;8.93,-31.25,;8.06,-32.33,;7.96,-33.79,;6.32,-34.43,;5.54,-33.07,;6.74,-33.49,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567819
(CHEMBL4845768)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC2(CC2)C1 |(38.63,-28.74,;37.28,-28.01,;35.96,-28.82,;36.01,-30.36,;34.69,-31.17,;33.34,-30.43,;33.3,-28.89,;31.95,-28.16,;30.63,-28.96,;34.62,-28.09,;34.58,-26.55,;33.25,-25.79,;31.92,-26.56,;30.42,-26.16,;30.02,-24.67,;29.33,-27.24,;33.25,-24.25,;34.58,-23.47,;35.91,-24.25,;37.24,-23.48,;38.65,-24.11,;39.68,-22.97,;38.91,-21.63,;37.41,-21.95,;41.2,-23.13,;41.82,-24.55,;43.35,-24.71,;44.26,-23.47,;45.8,-23.63,;43.63,-22.05,;42.11,-21.89,;35.91,-25.79,;37.24,-26.56,;31.91,-23.48,;30.58,-24.26,;31.91,-21.94,;33.24,-21.17,;33.24,-19.64,;31.91,-18.87,;30.57,-19.63,;29.03,-19.62,;29.8,-18.29,;30.57,-21.18,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567820
(CHEMBL4858156)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(CO)C1 |(39.34,-43.55,;37.98,-42.82,;36.67,-43.63,;36.72,-45.16,;35.4,-45.98,;34.05,-45.24,;34.01,-43.7,;32.65,-42.97,;31.34,-43.77,;35.32,-42.9,;35.28,-41.36,;33.96,-40.6,;32.62,-41.37,;31.13,-40.97,;30.73,-39.48,;30.03,-42.05,;33.96,-39.06,;35.29,-38.28,;36.62,-39.06,;37.95,-38.29,;39.35,-38.92,;40.39,-37.78,;39.62,-36.44,;38.11,-36.76,;41.91,-37.94,;42.53,-39.35,;44.06,-39.52,;44.97,-38.28,;46.5,-38.44,;44.34,-36.86,;42.81,-36.7,;36.62,-40.6,;37.95,-41.37,;32.62,-38.29,;31.29,-39.07,;32.62,-36.75,;33.95,-35.98,;33.95,-34.45,;32.61,-33.68,;31.28,-34.45,;29.95,-33.68,;29.95,-32.14,;31.28,-35.99,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567809
(CHEMBL4848154)Show SMILES CCc1cccc(CC)c1-n1c(CC2CC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(57.79,-12.67,;56.44,-11.94,;55.13,-12.75,;55.18,-14.29,;53.86,-15.1,;52.5,-14.36,;52.46,-12.83,;51.11,-12.09,;49.8,-12.89,;53.78,-12.02,;53.74,-10.48,;52.41,-9.72,;51.08,-10.49,;49.58,-10.09,;48.49,-8.99,;48.08,-10.49,;52.41,-8.18,;53.74,-7.4,;55.07,-8.18,;56.41,-7.41,;57.81,-8.04,;58.84,-6.9,;58.08,-5.56,;56.57,-5.88,;60.37,-7.07,;60.99,-8.48,;62.52,-8.64,;63.43,-7.4,;64.96,-7.56,;62.8,-5.98,;61.27,-5.83,;55.07,-9.72,;56.4,-10.49,;51.08,-7.42,;49.75,-8.19,;51.07,-5.88,;52.4,-5.1,;52.4,-3.57,;51.07,-2.8,;49.73,-3.57,;49.73,-5.11,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567816
(CHEMBL4851708)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1C |(16.32,-26.44,;14.96,-25.71,;13.65,-26.52,;13.7,-28.05,;12.38,-28.87,;11.02,-28.13,;10.99,-26.59,;9.63,-25.86,;8.32,-26.66,;12.3,-25.79,;12.26,-24.25,;10.94,-23.49,;9.6,-24.26,;8.1,-23.85,;7.71,-22.37,;7.01,-24.94,;10.94,-21.95,;12.26,-21.17,;13.59,-21.95,;14.93,-21.18,;16.33,-21.81,;17.37,-20.67,;16.6,-19.33,;15.09,-19.65,;18.89,-20.83,;19.51,-22.24,;21.04,-22.41,;21.95,-21.17,;23.48,-21.33,;21.32,-19.75,;19.79,-19.59,;13.59,-23.49,;14.93,-24.26,;9.6,-21.18,;8.27,-21.96,;9.6,-19.64,;10.92,-18.87,;10.92,-17.34,;9.59,-16.56,;8.26,-17.34,;8.25,-18.88,;6.92,-19.65,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567809
(CHEMBL4848154)Show SMILES CCc1cccc(CC)c1-n1c(CC2CC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(57.79,-12.67,;56.44,-11.94,;55.13,-12.75,;55.18,-14.29,;53.86,-15.1,;52.5,-14.36,;52.46,-12.83,;51.11,-12.09,;49.8,-12.89,;53.78,-12.02,;53.74,-10.48,;52.41,-9.72,;51.08,-10.49,;49.58,-10.09,;48.49,-8.99,;48.08,-10.49,;52.41,-8.18,;53.74,-7.4,;55.07,-8.18,;56.41,-7.41,;57.81,-8.04,;58.84,-6.9,;58.08,-5.56,;56.57,-5.88,;60.37,-7.07,;60.99,-8.48,;62.52,-8.64,;63.43,-7.4,;64.96,-7.56,;62.8,-5.98,;61.27,-5.83,;55.07,-9.72,;56.4,-10.49,;51.08,-7.42,;49.75,-8.19,;51.07,-5.88,;52.4,-5.1,;52.4,-3.57,;51.07,-2.8,;49.73,-3.57,;49.73,-5.11,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567824
(CHEMBL4879014)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C(O)=O |(81.66,-16.59,;80.31,-15.86,;79,-16.67,;79.04,-18.21,;77.73,-19.02,;76.37,-18.28,;76.33,-16.75,;74.98,-16.01,;73.67,-16.81,;77.65,-15.94,;77.61,-14.4,;76.28,-13.64,;74.95,-14.41,;73.45,-14.01,;73.06,-12.52,;72.36,-15.09,;76.28,-12.1,;77.61,-11.32,;78.94,-12.1,;80.28,-11.33,;81.68,-11.96,;82.71,-10.82,;81.95,-9.48,;80.44,-9.8,;84.24,-10.99,;84.86,-12.4,;86.39,-12.56,;87.3,-11.32,;88.83,-11.48,;86.67,-9.9,;85.14,-9.75,;78.94,-13.64,;80.27,-14.41,;74.95,-11.34,;73.62,-12.11,;74.94,-9.8,;76.27,-9.02,;76.27,-7.49,;74.94,-6.72,;73.6,-7.49,;73.6,-9.03,;72.27,-6.72,;72.26,-5.18,;70.93,-7.49,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567832
(CHEMBL4878489)Show SMILES CCc1cccc(Cl)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(52.93,-11.96,;54.25,-11.16,;55.6,-11.89,;55.64,-13.43,;56.99,-14.17,;58.31,-13.35,;58.26,-11.82,;59.57,-11.01,;56.91,-11.09,;56.88,-9.55,;55.55,-8.79,;54.22,-9.56,;52.72,-9.15,;52.32,-7.67,;51.63,-10.24,;55.55,-7.25,;56.88,-6.47,;58.21,-7.25,;59.54,-6.48,;60.95,-7.11,;61.98,-5.97,;61.21,-4.63,;59.71,-4.95,;63.5,-6.13,;64.12,-7.54,;65.65,-7.71,;66.56,-6.47,;68.09,-6.63,;65.93,-5.05,;64.41,-4.89,;58.21,-8.79,;59.54,-9.56,;54.21,-6.48,;52.88,-7.26,;54.21,-4.94,;55.55,-4.17,;55.55,-2.64,;54.22,-1.87,;52.88,-2.64,;52.88,-4.18,)| | PDB
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TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567830
(CHEMBL4878829)Show SMILES CCc1ccccc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(28.88,-27.83,;30.2,-27.02,;31.55,-27.76,;31.59,-29.3,;32.94,-30.03,;34.26,-29.22,;34.21,-27.68,;32.87,-26.95,;32.83,-25.42,;31.5,-24.66,;30.17,-25.43,;28.67,-25.02,;28.27,-23.53,;27.58,-26.11,;31.5,-23.12,;32.83,-22.34,;34.16,-23.12,;35.49,-22.34,;36.9,-22.97,;37.93,-21.83,;37.16,-20.5,;35.66,-20.81,;39.45,-22,;40.07,-23.41,;41.6,-23.58,;42.51,-22.33,;44.05,-22.5,;41.88,-20.92,;40.36,-20.76,;34.16,-24.66,;35.49,-25.43,;30.16,-22.35,;28.83,-23.12,;30.16,-20.81,;31.5,-20.04,;31.5,-18.51,;30.17,-17.73,;28.83,-18.51,;28.83,-20.05,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567823
(CHEMBL4872718)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C#N |(60.34,-42.18,;58.98,-41.45,;57.67,-42.26,;57.72,-43.79,;56.4,-44.61,;55.05,-43.87,;55.01,-42.33,;53.65,-41.6,;52.34,-42.4,;56.32,-41.53,;56.28,-39.99,;54.96,-39.23,;53.62,-40,;52.13,-39.6,;51.73,-38.11,;51.03,-40.68,;54.96,-37.69,;56.29,-36.91,;57.62,-37.69,;58.95,-36.92,;60.35,-37.55,;61.39,-36.41,;60.62,-35.07,;59.11,-35.39,;62.91,-36.57,;63.53,-37.99,;65.06,-38.15,;65.97,-36.91,;67.5,-37.07,;65.34,-35.49,;63.81,-35.33,;57.62,-39.23,;58.95,-40,;53.62,-36.92,;52.29,-37.7,;53.62,-35.38,;54.95,-34.61,;54.95,-33.08,;53.61,-32.31,;52.28,-33.08,;52.28,-34.62,;50.94,-32.31,;49.61,-31.54,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567808
(CHEMBL4860083)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(34.78,-41.41,;33.43,-40.68,;32.11,-41.49,;32.16,-43.02,;30.84,-43.84,;29.49,-43.1,;29.45,-41.56,;28.1,-40.83,;26.78,-41.63,;30.77,-40.76,;30.73,-39.22,;29.4,-38.46,;28.07,-39.23,;26.57,-38.83,;26.17,-37.34,;25.48,-39.91,;29.4,-36.92,;30.73,-36.14,;32.06,-36.92,;33.39,-36.15,;34.8,-36.78,;35.83,-35.64,;35.06,-34.3,;33.56,-34.62,;37.35,-35.8,;37.97,-37.22,;39.5,-37.38,;40.41,-36.14,;41.94,-36.3,;39.78,-34.72,;38.26,-34.56,;32.06,-38.46,;33.39,-39.23,;28.06,-36.15,;26.73,-36.93,;28.06,-34.61,;29.39,-33.84,;29.39,-32.31,;28.06,-31.54,;26.72,-32.31,;26.72,-33.85,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444269
(CHEMBL3093629)Show SMILES OCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(24.63,-35.11,;25.96,-34.34,;27.3,-35.11,;28.63,-34.34,;29.96,-35.12,;31.3,-34.35,;32.63,-35.12,;33.97,-34.35,;33.96,-32.8,;35.29,-32.02,;35.29,-30.48,;36.63,-32.79,;37.96,-32.01,;39.29,-32.78,;40.62,-32.01,;40.62,-30.47,;39.27,-29.7,;37.95,-30.48,;41.95,-29.68,;41.17,-28.35,;42.72,-28.34,;43.28,-30.45,;43.28,-31.99,;44.61,-32.75,;45.94,-31.98,;45.94,-30.44,;44.6,-29.67,;32.63,-32.03,;32.62,-30.49,;31.29,-29.73,;29.96,-30.5,;28.62,-29.72,;28.62,-28.18,;27.29,-27.41,;29.96,-27.41,;31.29,-28.18,;31.3,-32.8,)| Show InChI InChI=1S/C24H34N6O6S/c31-13-1-10-25-24-26-16-21(22(29-24)27-17-2-6-19(32)7-3-17)23(33)28-18-4-8-20(9-5-18)37(34,35)30-11-14-36-15-12-30/h4-5,8-9,16-17,19,31-32H,1-3,6-7,10-15H2,(H,28,33)(H2,25,26,27,29)/t17-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567827
(CHEMBL4873139)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2 |TLB:33:35:42:38.39,(16.11,-27.82,;14.75,-27.09,;13.44,-27.89,;13.49,-29.43,;12.17,-30.24,;10.82,-29.51,;10.78,-27.97,;9.42,-27.23,;8.11,-28.04,;12.09,-27.16,;12.05,-25.63,;10.73,-24.87,;9.39,-25.64,;7.89,-25.23,;7.5,-23.74,;6.8,-26.32,;10.73,-23.33,;12.05,-22.55,;13.38,-23.33,;14.72,-22.55,;16.12,-23.18,;17.16,-22.04,;16.39,-20.71,;14.88,-21.02,;18.68,-22.21,;19.3,-23.62,;20.83,-23.79,;21.74,-22.54,;23.27,-22.71,;21.11,-21.13,;19.58,-20.97,;13.38,-24.87,;14.72,-25.64,;9.39,-22.56,;8.06,-23.33,;9.39,-21.02,;8.41,-20.21,;6.57,-20.21,;5.58,-21.56,;6.76,-20.84,;7.36,-19.51,;9.12,-19.47,;6.3,-18.67,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567820
(CHEMBL4858156)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(CO)C1 |(39.34,-43.55,;37.98,-42.82,;36.67,-43.63,;36.72,-45.16,;35.4,-45.98,;34.05,-45.24,;34.01,-43.7,;32.65,-42.97,;31.34,-43.77,;35.32,-42.9,;35.28,-41.36,;33.96,-40.6,;32.62,-41.37,;31.13,-40.97,;30.73,-39.48,;30.03,-42.05,;33.96,-39.06,;35.29,-38.28,;36.62,-39.06,;37.95,-38.29,;39.35,-38.92,;40.39,-37.78,;39.62,-36.44,;38.11,-36.76,;41.91,-37.94,;42.53,-39.35,;44.06,-39.52,;44.97,-38.28,;46.5,-38.44,;44.34,-36.86,;42.81,-36.7,;36.62,-40.6,;37.95,-41.37,;32.62,-38.29,;31.29,-39.07,;32.62,-36.75,;33.95,-35.98,;33.95,-34.45,;32.61,-33.68,;31.28,-34.45,;29.95,-33.68,;29.95,-32.14,;31.28,-35.99,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567828
(CHEMBL4854924)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1C2CCC1CNC2 |THB:33:35:41.42.40:37.38,(15.96,-41.01,;14.6,-40.28,;13.29,-41.09,;13.34,-42.62,;12.02,-43.43,;10.67,-42.7,;10.63,-41.16,;9.27,-40.42,;7.96,-41.23,;11.94,-40.36,;11.9,-38.82,;10.58,-38.06,;9.25,-38.83,;7.75,-38.42,;7.35,-36.93,;6.65,-39.51,;10.58,-36.52,;11.91,-35.74,;13.24,-36.52,;14.57,-35.74,;15.97,-36.37,;17.01,-35.23,;16.24,-33.9,;14.73,-34.21,;18.53,-35.4,;19.15,-36.81,;20.68,-36.98,;21.59,-35.73,;23.12,-35.9,;20.96,-34.32,;19.43,-34.16,;13.24,-38.06,;14.57,-38.83,;9.24,-35.75,;7.91,-36.52,;9.24,-34.21,;8.46,-32.85,;8.93,-31.25,;8.06,-32.33,;7.96,-33.79,;6.32,-34.43,;5.54,-33.07,;6.74,-33.49,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444282
(CHEMBL3093639 | US9649309, Compound UNC2086A)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCNCC2)n1 Show InChI InChI=1S/C24H35N7O4S/c1-2-3-10-26-24-27-17-21(22(30-24)28-19-8-11-25-12-9-19)23(32)29-18-4-6-20(7-5-18)36(33,34)31-13-15-35-16-14-31/h4-7,17,19,25H,2-3,8-16H2,1H3,(H,29,32)(H2,26,27,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
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