Found 8 hits for monomerid = 50395520 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in human A549 cells assessed as inhibition of TNFalpha-induced NFKB activation |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |