Compile Data Set for Download or QSAR

Found 11 hits of kd for UniProtKB: P05181   

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
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92665 (Auxiliary substrate, 10a) Show SMILES CCC(C)CCOC(=O)c1cccnc1 Show InChI InChI=1S/C12H17NO2/c1-3-10(2)6-8-15-12(14)11-5-4-7-13-9-11/h4-5,7,9-10H,3,6,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92666 (Auxiliary substrate, 11a) Show SMILES CC(C)CCCCOC(=O)c1cccnc1 Show InChI InChI=1S/C13H19NO2/c1-11(2)6-3-4-9-16-13(15)12-7-5-8-14-10-12/h5,7-8,10-11H,3-4,6,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92667 (Auxiliary substrate, 12a) Show SMILES CCCCCOC(=O)c1cccnc1 Show InChI InChI=1S/C11H15NO2/c1-2-3-4-8-14-11(13)10-6-5-7-12-9-10/h5-7,9H,2-4,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92668 (Auxiliary substrate, 1a) Show SMILES CCCCCCOC(=O)c1cccnc1 Show InChI InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92669 (Auxiliary substrate, 14a) Show SMILES CCCCCCCCOC(=O)c1cccnc1 Show InChI InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-11-17-14(16)13-9-8-10-15-12-13/h8-10,12H,2-7,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92499 (Omega-imidazolyl dodecanoic acid) Show SMILES OC(=O)CCCCCCCCCCCn1ccnc1 Show InChI InChI=1S/C15H26N2O2/c18-15(19)10-8-6-4-2-1-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,1-10,12H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
The University of Kansas					Assay Description Binding assay using CYP2E1.				J Biol Chem 285: 22282-90 (2010) Article DOI: 10.1074/jbc.M110.109017 BindingDB Entry DOI: 10.7270/Q2FF3QZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92671 (Auxiliary substrate, 18a) Show SMILES C=CCCOC(=O)c1cccnc1 Show InChI InChI=1S/C10H11NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h2,4-6,8H,1,3,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92672 (Auxiliary substrate, 20a) Show SMILES O=C(OCC1CCCC1)c1cccnc1 Show InChI InChI=1S/C12H15NO2/c14-12(11-6-3-7-13-8-11)15-9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92497 (CHEMBL542051 | Omega-imidazolyl octanoic acid) Show SMILES OC(=O)CCCCCCCn1ccnc1 Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a
The University of Kansas					Assay Description Binding assay using CYP2E1.				J Biol Chem 285: 22282-90 (2010) Article DOI: 10.1074/jbc.M110.109017 BindingDB Entry DOI: 10.7270/Q2FF3QZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92498 (Omega-imidazolyl decanoic acid) Show SMILES OC(=O)CCCCCCCCCn1ccnc1 Show InChI InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a
The University of Kansas					Assay Description Binding assay using CYP2E1.				J Biol Chem 285: 22282-90 (2010) Article DOI: 10.1074/jbc.M110.109017 BindingDB Entry DOI: 10.7270/Q2FF3QZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92670 (Auxiliary substrate, 16a) Show SMILES CC\C=C\CCOC(=O)c1cccnc1 Show InChI InChI=1S/C12H15NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h3-4,6-8,10H,2,5,9H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair