Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50032518   

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 2B1 (Rattus norvegicus)	BDBM50330386 (4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid | ...) Show SMILES OC(=O)CCC(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a
Instituto Politécnico Nacional Curated by ChEMBL					Assay Description Binding affinity to rat CYP2B1				Eur J Med Chem 45: 4845-55 (2010) Article DOI: 10.1016/j.ejmech.2010.07.055 BindingDB Entry DOI: 10.7270/Q2862GPP
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50330387 (1H-pyrrolidine-1-(4'-hydroxyphenyl)-2,5-dione | CH...) Show SMILES Oc1ccc(O)n1-c1ccc(O)cc1 Show InChI InChI=1S/C10H9NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12-14H	PDB 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	1.35E+4	n/a	n/a	n/a	n/a	n/a
Instituto Politécnico Nacional Curated by ChEMBL					Assay Description Binding affinity to human CYP1A1				Eur J Med Chem 45: 4845-55 (2010) Article DOI: 10.1016/j.ejmech.2010.07.055 BindingDB Entry DOI: 10.7270/Q2862GPP
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50330387 (1H-pyrrolidine-1-(4'-hydroxyphenyl)-2,5-dione | CH...) Show SMILES Oc1ccc(O)n1-c1ccc(O)cc1 Show InChI InChI=1S/C10H9NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12-14H	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a
Instituto Politécnico Nacional Curated by ChEMBL					Assay Description Binding affinity to rat CYP2B1				Eur J Med Chem 45: 4845-55 (2010) Article DOI: 10.1016/j.ejmech.2010.07.055 BindingDB Entry DOI: 10.7270/Q2862GPP
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM26197 (CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...) Show SMILES CC(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a
Instituto Politécnico Nacional Curated by ChEMBL					Assay Description Binding affinity to human CYP1A1				Eur J Med Chem 45: 4845-55 (2010) Article DOI: 10.1016/j.ejmech.2010.07.055 BindingDB Entry DOI: 10.7270/Q2862GPP
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50330386 (4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid | ...) Show SMILES OC(=O)CCC(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a
Instituto Politécnico Nacional Curated by ChEMBL					Assay Description Binding affinity to human CYP1A1				Eur J Med Chem 45: 4845-55 (2010) Article DOI: 10.1016/j.ejmech.2010.07.055 BindingDB Entry DOI: 10.7270/Q2862GPP
					More data for this Ligand-Target Pair