Affinity Data by Patent

Patent code US8906943

Found 19 hits of Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12341 (CHEMBL178681 \| CHEMBL359657 \| US8609708, 1 \| US860...) Show SMILES NCc1ccc(s1)-c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50188097 (1-(4-Chlorobenzyl)-1H-imidazole \| CHEMBL441367) Show SMILES Clc1ccc(Cn2ccnc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12351 (3-(3-methylthiophen-2-yl)pyridine \| CHEMBL179669 \|...) Show SMILES Cc1ccsc1-c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12345 (CHEMBL178090 \| US8609708, 2 \| US8609708, 47 \| [5-(...) Show SMILES NCc1ccc(o1)-c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12370 ((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine \| [3...) Show SMILES NCc1cc(n[nH]1)-c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12371 ((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...) Show SMILES NCc1cc(no1)-c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12351 (3-(3-methylthiophen-2-yl)pyridine \| CHEMBL179669 \|...) Show SMILES Cc1ccsc1-c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50149352 (1-Cyclohexylmethyl-1H-imidazole \| CHEMBL120057) Show SMILES C(C1CCCCC1)n1ccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50188097 (1-(4-Chlorobenzyl)-1H-imidazole \| CHEMBL441367) Show SMILES Clc1ccc(Cn2ccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM140266 (US8906943, 11) Show SMILES C(Cn1ccnc1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12341 (CHEMBL178681 \| CHEMBL359657 \| US8609708, 1 \| US860...) Show SMILES NCc1ccc(s1)-c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.22E+4	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12370 ((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine \| [3...) Show SMILES NCc1cc(n[nH]1)-c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.64E+4	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12371 ((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...) Show SMILES NCc1cc(no1)-c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.74E+4	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12357 (3-(1H-imidazol-4-yl)pyridine \| CHEMBL178516 \| JMC5...) Show SMILES c1nc(c[nH]1)-c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50149352 (1-Cyclohexylmethyl-1H-imidazole \| CHEMBL120057) Show SMILES C(C1CCCCC1)n1ccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12345 (CHEMBL178090 \| US8609708, 2 \| US8609708, 47 \| [5-(...) Show SMILES NCc1ccc(o1)-c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM45885 (3-(1-imidazolylmethyl)pyridine \| 3-(imidazol-1-ylm...) Show SMILES C(c1cccnc1)n1ccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM140266 (US8906943, 11) Show SMILES C(Cn1ccnc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.18E+5	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12357 (3-(1H-imidazol-4-yl)pyridine \| CHEMBL178516 \| JMC5...) Show SMILES c1nc(c[nH]1)-c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
TBA US Patent					More data for this Ligand-Target Pair

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* indicates data uncertainty>20%