Affinity Data by PubMed id=26371436

PubMed code 26371436

Found 14 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 3A4 (Homo sapiens (Human))	BDBM50176903 (CHEMBL3814877) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176904 (CHEMBL3814479) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176905 (CHEMBL3814345) Show SMILES Show InChI	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+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176908 (CHEMBL3814075) Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176907 (CHEMBL3814729) Show SMILES NCCCCCC(=O)NCc1cccnc1 Show InChI	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	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176909 (CHEBI:16227 \| Pyridine) Show SMILES c1ccncc1 Show InChI InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50417104 (CHEMBL1256004) Show SMILES NCCc1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50417104 (CHEMBL1256004) Show SMILES NCCc1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176905 (CHEMBL3814345) Show SMILES Show InChI	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	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176908 (CHEMBL3814075) Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176904 (CHEMBL3814479) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176909 (CHEBI:16227 \| Pyridine) Show SMILES c1ccncc1 Show InChI InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.50E+6	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176903 (CHEMBL3814877) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176907 (CHEMBL3814729) Show SMILES NCCCCCC(=O)NCc1cccnc1 Show InChI	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	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01146 BindingDB Entry DOI: 10.7270/Q2Q52RKB
University of California-Irvine Curated by ChEMBL					More data for this Ligand-Target Pair

* indicates data uncertainty>20%