Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'guido' and Initial = 'rvc'   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50567995 (CHEMBL4851471 | US11903936, Compound 20) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50567995 (CHEMBL4851471 | US11903936, Compound 20) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50567995 (CHEMBL4851471 | US11903936, Compound 20) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50567995 (CHEMBL4851471 | US11903936, Compound 20) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567995 (CHEMBL4851471 | US11903936, Compound 20) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50567966 (CHEMBL4850116) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50567998 (CHEMBL4876457 | US11903936, Compound 26) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NK1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50567998 (CHEMBL4876457 | US11903936, Compound 26) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50567966 (CHEMBL4850116) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50567966 (CHEMBL4850116) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50567998 (CHEMBL4876457 | US11903936, Compound 26) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50567991 (CHEMBL4848632 | US11903936, Compound 2) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50567991 (CHEMBL4848632 | US11903936, Compound 2) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567967 (CHEMBL4850393 | US11903936, Compound 35) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50567991 (CHEMBL4848632 | US11903936, Compound 2) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50567998 (CHEMBL4876457 | US11903936, Compound 26) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50567966 (CHEMBL4850116) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50567967 (CHEMBL4850393 | US11903936, Compound 35) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50567967 (CHEMBL4850393 | US11903936, Compound 35) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50567967 (CHEMBL4850393 | US11903936, Compound 35) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50567966 (CHEMBL4850116) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50567998 (CHEMBL4876457 | US11903936, Compound 26) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50567991 (CHEMBL4848632 | US11903936, Compound 2) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50567967 (CHEMBL4850393 | US11903936, Compound 35) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50567967 (CHEMBL4850393 | US11903936, Compound 35) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50567966 (CHEMBL4850116) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567966 (CHEMBL4850116) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50567991 (CHEMBL4848632 | US11903936, Compound 2) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50567967 (CHEMBL4850393 | US11903936, Compound 35) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50567991 (CHEMBL4848632 | US11903936, Compound 2) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567998 (CHEMBL4876457 | US11903936, Compound 26) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567991 (CHEMBL4848632 | US11903936, Compound 2) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50567998 (CHEMBL4876457 | US11903936, Compound 26) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by QPatch assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567957 (CHEMBL4855439) Show SMILES COc1ccc(Cc2c[nH]c(C(=O)NC3CC3)c2C)c2cnccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50365224 (CHEMBL1956291 | US9238653, Table 5, Compound 29) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C13H9F8N5S/c1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21/h2-6,23H,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50538344 (CHEMBL4633246) Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50538359 (CHEMBL4635646) Show SMILES Cc1c(Cc2ccc(cc2F)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567951 (CHEMBL4855152) Show SMILES Cc1c(Cc2ccc(nc2F)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567952 (CHEMBL4878579) Show SMILES Cc1c(Cc2ccc(nc2F)C(F)(F)F)c[nH]c1C(=O)NCC(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567953 (CHEMBL4878940) Show SMILES Cc1c(Cc2ccc(nc2F)C(F)(F)F)c[nH]c1C(=O)N1CC(F)(F)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567954 (CHEMBL4856991) Show SMILES Cc1c(Cc2cccc3ccncc23)c[nH]c1C(=O)NC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567955 (CHEMBL4855268) Show SMILES Cc1c(Cc2cccc3ccncc23)c[nH]c1C(=O)N1CC(F)(F)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567956 (CHEMBL4861785) Show SMILES Cc1c(Cc2cccc3ccncc23)c[nH]c1C(=O)NCC(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567958 (CHEMBL4847032) Show SMILES Cc1c(Cc2ccc(F)c3ccncc23)c[nH]c1C(=O)NC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567959 (CHEMBL4847652) Show SMILES Cc1c(Cc2ccc(F)c3ccncc23)c[nH]c1C(=O)N1CC(F)(F)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567960 (CHEMBL4877462) Show SMILES CCOC(=O)c1[nH]cc(Cc2ccc(c3ncoc23)C(F)(F)F)c1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567961 (CHEMBL4872774) Show SMILES CCOC(=O)c1[nH]cc(Cc2cccc3ncoc23)c1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567962 (CHEMBL4846095) Show SMILES CCOC(=O)c1[nH]cc(Cc2nc3ccccc3o2)c1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567963 (CHEMBL4874350) Show SMILES Cc1c(Cc2nc3ccccc3o2)c[nH]c1C(=O)NC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50567964 (CHEMBL4858336 | US11903936, Compound 29) Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cc(C)on1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair

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