Found 6 hits for monomerid = 50598851 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 |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | |