Found 58 hits with Last Name = 'dumin' and Initial = 'j' 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 |
|---|
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215294
(2-(N-(6-chloro-7-methyl-2,3-dioxo-1,2,3,4-tetrahyd...)Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CC(O)=O)S(C)(=O)=O)c1Cl Show InChI InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215283
(2-(N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroqui...)Show SMILES CS(=O)(=O)N(CC(O)=O)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C11H9Cl2N3O6S/c1-23(21,22)16(3-6(17)18)9-7(13)4(12)2-5-8(9)15-11(20)10(19)14-5/h2H,3H2,1H3,(H,14,19)(H,15,20)(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215284
(2-(N-(7-chloro-6-methyl-2,3-dioxo-1,2,3,4-tetrahyd...)Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CC(O)=O)S(C)(=O)=O Show InChI InChI=1S/C12H12ClN3O6S/c1-5-6(13)3-7-9(15-12(20)11(19)14-7)10(5)16(4-8(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215282
(CHEMBL429296 | N-(6-chloro-7-methyl-2,3-dioxo-1,2,...)Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCO)S(C)(=O)=O)c1Cl Show InChI InChI=1S/C12H14ClN3O5S/c1-6-5-7-9(15-12(19)11(18)14-7)10(8(6)13)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215286
(CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20) | PDB
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215286
(CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20) | PDB
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215281
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22) | PDB
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215287
(CHEMBL247035 | N-(3-methoxybenzyl)-N-(6,7-dichloro...)Show SMILES COc1cccc(CN(c2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)S(C)(=O)=O)c1 Show InChI InChI=1S/C17H15Cl2N3O5S/c1-27-10-5-3-4-9(6-10)8-22(28(2,25)26)15-13(19)11(18)7-12-14(15)21-17(24)16(23)20-12/h3-7H,8H2,1-2H3,(H,20,23)(H,21,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215296
(CHEMBL401849 | N-(7-chloro-6-methyl-2,3-dioxo-1,2,...)Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CCO)S(C)(=O)=O Show InChI InChI=1S/C12H14ClN3O5S/c1-6-7(13)5-8-9(15-12(19)11(18)14-8)10(6)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19) | PDB
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215285
(CHEMBL400508 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CCOCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C14H17Cl2N3O5S/c1-3-24-6-4-5-19(25(2,22)23)12-10(16)8(15)7-9-11(12)18-14(21)13(20)17-9/h7H,3-6H2,1-2H3,(H,17,20)(H,18,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215276
(CHEMBL399519 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215281
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215281
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215279
(CHEMBL248439 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES COCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C12H13Cl2N3O5S/c1-22-4-3-17(23(2,20)21)10-8(14)6(13)5-7-9(10)16-12(19)11(18)15-7/h5H,3-4H2,1-2H3,(H,15,18)(H,16,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215298
(CHEMBL399075 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CS(=O)(=O)N(CC1CCCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 |w:6.5| Show InChI InChI=1S/C15H17Cl2N3O5S/c1-26(23,24)20(7-8-4-2-3-5-25-8)13-11(17)9(16)6-10-12(13)19-15(22)14(21)18-10/h6,8H,2-5,7H2,1H3,(H,18,21)(H,19,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215297
(CHEMBL247034 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CC(O)CN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O |w:1.0| Show InChI InChI=1S/C12H13Cl2N3O5S/c1-5(18)4-17(23(2,21)22)10-8(14)6(13)3-7-9(10)16-12(20)11(19)15-7/h3,5,18H,4H2,1-2H3,(H,15,19)(H,16,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215292
(CHEMBL401100 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CS(=O)(=O)N(CCCO)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C12H13Cl2N3O5S/c1-23(21,22)17(3-2-4-18)10-8(14)6(13)5-7-9(10)16-12(20)11(19)15-7/h5,18H,2-4H2,1H3,(H,15,19)(H,16,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215280
(CHEMBL248436 | N-(3-fluorobenzyl)-N-(6,7-dichloro-...)Show SMILES CS(=O)(=O)N(Cc1cccc(F)c1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C16H12Cl2FN3O4S/c1-27(25,26)22(7-8-3-2-4-9(19)5-8)14-12(18)10(17)6-11-13(14)21-16(24)15(23)20-11/h2-6H,7H2,1H3,(H,20,23)(H,21,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215278
(CHEMBL248446 | N-(6-chloro-7-ethyl-2,3-dioxo-1,2,3...)Show SMILES CCc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCCOC)S(C)(=O)=O)c1Cl Show InChI InChI=1S/C15H20ClN3O5S/c1-4-9-8-10-12(18-15(21)14(20)17-10)13(11(9)16)19(25(3,22)23)6-5-7-24-2/h8H,4-7H2,1-3H3,(H,17,20)(H,18,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215277
(CHEMBL401253 | N-(7-chloro-6-ethyl-2,3-dioxo-1,2,3...)Show SMILES CCc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CCO)S(C)(=O)=O Show InChI InChI=1S/C13H16ClN3O5S/c1-3-7-8(14)6-9-10(16-13(20)12(19)15-9)11(7)17(4-5-18)23(2,21)22/h6,18H,3-5H2,1-2H3,(H,15,19)(H,16,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215295
(CHEMBL248438 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CS(=O)(=O)N(CC1CCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 |w:6.5| Show InChI InChI=1S/C14H15Cl2N3O5S/c1-25(22,23)19(6-7-3-2-4-24-7)12-10(16)8(15)5-9-11(12)18-14(21)13(20)17-9/h5,7H,2-4,6H2,1H3,(H,17,20)(H,18,21) | PDB
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215291
(CHEMBL248445 | N-(7-chloro-6-methyl-2,3-dioxo-1,2,...)Show SMILES COCCN(c1c(C)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H16ClN3O5S/c1-7-8(14)6-9-10(16-13(19)12(18)15-9)11(7)17(4-5-22-2)23(3,20)21/h6H,4-5H2,1-3H3,(H,15,18)(H,16,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215288
(CHEMBL248444 | N-(6-chloro-7-methyl-2,3-dioxo-1,2,...)Show SMILES COCCN(c1c(Cl)c(C)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H16ClN3O5S/c1-7-6-8-10(16-13(19)12(18)15-8)11(9(7)14)17(4-5-22-2)23(3,20)21/h6H,4-5H2,1-3H3,(H,15,18)(H,16,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215276
(CHEMBL399519 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215276
(CHEMBL399519 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215290
(CHEMBL399274 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CCOCCOCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C15H19Cl2N3O6S/c1-3-25-6-7-26-5-4-20(27(2,23)24)13-11(17)9(16)8-10-12(13)19-15(22)14(21)18-10/h8H,3-7H2,1-2H3,(H,18,21)(H,19,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215293
(CHEMBL248442 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES CCOCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H15Cl2N3O5S/c1-3-23-5-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215286
(CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(Homo sapiens (Human)) | BDBM50215289
(CHEMBL399700 | N-(7-chloro-2,3-dioxo-1,2,3,4-tetra...)Show SMILES COCCCN(c1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H16ClN3O5S/c1-22-5-3-4-17(23(2,20)21)10-7-8(14)6-9-11(10)16-13(19)12(18)15-9/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 728 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human NMDA NR1 receptor |
Bioorg Med Chem Lett 17: 4599-603 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065241
(CHEMBL2207044)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCOC)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C39H67NO7/c1-10-44-33(35(5,6)42)25-21-24(2)30-31(46-25)32(41)37(8)27-12-11-26-34(3,4)28(47-29-22-40(17-19-43-9)18-20-45-29)13-14-38(26)23-39(27,38)16-15-36(30,37)7/h24-33,41-42H,10-23H2,1-9H3/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065108
(CHEMBL3403818)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5COC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C42H70N2O7/c1-9-48-36(38(5,6)46)28-18-25(2)33-34(50-28)35(45)40(8)30-11-10-29-37(3,4)31(12-13-41(29)24-42(30,41)15-14-39(33,40)7)51-32-21-43(16-17-49-32)26-19-44(20-26)27-22-47-23-27/h25-36,45-46H,9-24H2,1-8H3/t25-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065197
(CHEMBL3403824)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6COC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C43H72N2O7/c1-9-49-37(39(5,6)47)29-18-26(2)34-35(51-29)36(46)41(8)31-11-10-30-38(3,4)32(12-13-42(30)25-43(31,42)15-14-40(34,41)7)52-33-22-44(16-17-50-33)19-27-20-45(21-27)28-23-48-24-28/h26-37,46-47H,9-25H2,1-8H3/t26-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065109
(CHEMBL3403819)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCOC)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C42H72N2O7/c1-10-48-36(38(5,6)46)28-21-26(2)33-34(50-28)35(45)40(8)30-12-11-29-37(3,4)31(13-14-41(29)25-42(30,41)16-15-39(33,40)7)51-32-24-44(18-20-49-32)27-22-43(23-27)17-19-47-9/h26-36,45-46H,10-25H2,1-9H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065193
(CHEMBL3403820)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CC(C)(C)O)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C43H74N2O7/c1-11-49-36(39(7,8)48)28-20-26(2)33-34(51-28)35(46)41(10)30-13-12-29-38(5,6)31(14-15-42(29)24-43(30,42)17-16-40(33,41)9)52-32-23-45(18-19-50-32)27-21-44(22-27)25-37(3,4)47/h26-36,46-48H,11-25H2,1-10H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,40-,41-,42-,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065193
(CHEMBL3403820)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CC(C)(C)O)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C43H74N2O7/c1-11-49-36(39(7,8)48)28-20-26(2)33-34(51-28)35(46)41(10)30-13-12-29-38(5,6)31(14-15-42(29)24-43(30,42)17-16-40(33,41)9)52-32-23-45(18-19-50-32)27-21-44(22-27)25-37(3,4)47/h26-36,46-48H,11-25H2,1-10H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,40-,41-,42-,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065194
(CHEMBL3403821)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCO)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C41H70N2O7/c1-9-47-35(37(5,6)46)27-20-25(2)32-33(49-27)34(45)39(8)29-11-10-28-36(3,4)30(12-13-40(28)24-41(29,40)15-14-38(32,39)7)50-31-23-43(17-19-48-31)26-21-42(22-26)16-18-44/h25-35,44-46H,9-24H2,1-8H3/t25-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065203
(CHEMBL2206994)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C40H68N2O6/c1-10-45-34(36(5,6)44)26-19-24(2)31-32(47-26)33(43)38(8)28-12-11-27-35(3,4)29(13-14-39(27)23-40(28,39)16-15-37(31,38)7)48-30-22-42(17-18-46-30)25-20-41(9)21-25/h24-34,43-44H,10-23H2,1-9H3/t24-,26-,27+,28+,29+,30+,31+,32+,33+,34+,37-,38-,39-,40+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065194
(CHEMBL3403821)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCO)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C41H70N2O7/c1-9-47-35(37(5,6)46)27-20-25(2)32-33(49-27)34(45)39(8)29-11-10-28-36(3,4)30(12-13-40(28)24-41(29,40)15-14-38(32,39)7)50-31-23-43(17-19-48-31)26-21-42(22-26)16-18-44/h25-35,44-46H,9-24H2,1-8H3/t25-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065109
(CHEMBL3403819)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCOC)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C42H72N2O7/c1-10-48-36(38(5,6)46)28-21-26(2)33-34(50-28)35(45)40(8)30-12-11-29-37(3,4)31(13-14-41(29)25-42(30,41)16-15-39(33,40)7)51-32-24-44(18-20-49-32)27-22-43(23-27)17-19-47-9/h26-36,45-46H,10-25H2,1-9H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065197
(CHEMBL3403824)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6COC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C43H72N2O7/c1-9-49-37(39(5,6)47)29-18-26(2)34-35(51-29)36(46)41(8)31-11-10-30-38(3,4)32(12-13-42(30)25-43(31,42)15-14-40(34,41)7)52-33-22-44(16-17-50-33)19-27-20-45(21-27)28-23-48-24-28/h26-37,46-47H,9-25H2,1-8H3/t26-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065196
(CHEMBL3403823)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6CCC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C44H74N2O6/c1-9-49-38(40(5,6)48)30-21-27(2)35-36(51-30)37(47)42(8)32-14-13-31-39(3,4)33(15-16-43(31)26-44(32,43)18-17-41(35,42)7)52-34-25-45(19-20-50-34)22-28-23-46(24-28)29-11-10-12-29/h27-38,47-48H,9-26H2,1-8H3/t27-,30-,31+,32+,33+,34+,35+,36+,37+,38+,41-,42-,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065198
(CHEMBL3403825)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCOC)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C43H74N2O7/c1-10-49-37(39(5,6)47)29-21-27(2)34-35(51-29)36(46)41(8)31-12-11-30-38(3,4)32(13-14-42(30)26-43(31,42)16-15-40(34,41)7)52-33-25-45(18-20-50-33)24-28-22-44(23-28)17-19-48-9/h27-37,46-47H,10-26H2,1-9H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065199
(CHEMBL3403826)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CC(C)(C)O)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C44H76N2O7/c1-11-50-37(40(7,8)49)29-20-27(2)34-35(52-29)36(47)42(10)31-13-12-30-39(5,6)32(14-15-43(30)25-44(31,43)17-16-41(34,42)9)53-33-24-45(18-19-51-33)21-28-22-46(23-28)26-38(3,4)48/h27-37,47-49H,11-26H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,41-,42-,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065108
(CHEMBL3403818)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5COC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C42H70N2O7/c1-9-48-36(38(5,6)46)28-18-25(2)33-34(50-28)35(45)40(8)30-11-10-29-37(3,4)31(12-13-41(29)24-42(30,41)15-14-39(33,40)7)51-32-21-43(16-17-49-32)26-19-44(20-26)27-22-47-23-27/h25-36,45-46H,9-24H2,1-8H3/t25-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065203
(CHEMBL2206994)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C40H68N2O6/c1-10-45-34(36(5,6)44)26-19-24(2)31-32(47-26)33(43)38(8)28-12-11-27-35(3,4)29(13-14-39(27)23-40(28,39)16-15-37(31,38)7)48-30-22-42(17-18-46-30)25-20-41(9)21-25/h24-34,43-44H,10-23H2,1-9H3/t24-,26-,27+,28+,29+,30+,31+,32+,33+,34+,37-,38-,39-,40+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065196
(CHEMBL3403823)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6CCC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C44H74N2O6/c1-9-49-38(40(5,6)48)30-21-27(2)35-36(51-30)37(47)42(8)32-14-13-31-39(3,4)33(15-16-43(31)26-44(32,43)18-17-41(35,42)7)52-34-25-45(19-20-50-34)22-28-23-46(24-28)29-11-10-12-29/h27-38,47-48H,9-26H2,1-8H3/t27-,30-,31+,32+,33+,34+,35+,36+,37+,38+,41-,42-,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065199
(CHEMBL3403826)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CC(C)(C)O)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C44H76N2O7/c1-11-50-37(40(7,8)49)29-20-27(2)34-35(52-29)36(47)42(10)31-13-12-30-39(5,6)32(14-15-43(30)25-44(31,43)17-16-41(34,42)9)53-33-24-45(18-19-51-33)21-28-22-46(23-28)26-38(3,4)48/h27-37,47-49H,11-26H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,41-,42-,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065195
(CHEMBL3403822)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C(C)C)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C43H74N2O6/c1-11-48-37(39(7,8)47)29-20-27(4)34-35(50-29)36(46)41(10)31-13-12-30-38(5,6)32(14-15-42(30)25-43(31,42)17-16-40(34,41)9)51-33-24-44(18-19-49-33)21-28-22-45(23-28)26(2)3/h26-37,46-47H,11-25H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065195
(CHEMBL3403822)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C(C)C)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C43H74N2O6/c1-11-48-37(39(7,8)47)29-20-27(4)34-35(50-29)36(46)41(10)31-13-12-30-38(5,6)32(14-15-42(30)25-43(31,42)17-16-40(34,41)9)51-33-24-44(18-19-49-33)21-28-22-45(23-28)26(2)3/h26-37,46-47H,11-25H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr... |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065200
(CHEMBL3403827)Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCO)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r| Show InChI InChI=1S/C42H72N2O7/c1-9-48-36(38(5,6)47)28-20-26(2)33-34(50-28)35(46)40(8)30-11-10-29-37(3,4)31(12-13-41(29)25-42(30,41)15-14-39(33,40)7)51-32-24-44(17-19-49-32)23-27-21-43(22-27)16-18-45/h26-36,45-47H,9-25H2,1-8H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Satori Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis |
Bioorg Med Chem Lett 25: 1621-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ |
More data for this
Ligand-Target Pair | |
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