Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'imran' and Initial = 'a'   

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
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152761 ([(E)-[2-(furan-2-yl)ethylidene]amino]thiourea (3f)) Show SMILES NC(=S)N\N=C\Cc1ccco1 Show InChI InChI=1S/C7H9N3OS/c8-7(12)10-9-4-3-6-2-1-5-11-6/h1-2,4-5H,3H2,(H3,8,10,12)/b9-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152757 ([(E)-[2-(pyridin-3-yl)ethylidene]amino]thiourea (3...) Show SMILES NC(=S)N\N=C\Cc1cccnc1 Show InChI InChI=1S/C8H10N4S/c9-8(13)12-11-5-3-7-2-1-4-10-6-7/h1-2,4-6H,3H2,(H3,9,12,13)/b11-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152756 ([(E)-[2-(pyridin-2-yl)ethylidene]amino]thiourea (3...) Show SMILES NC(=S)N\N=C\Cc1ccccn1 Show InChI InChI=1S/C8H10N4S/c9-8(13)12-11-6-4-7-3-1-2-5-10-7/h1-3,5-6H,4H2,(H3,9,12,13)/b11-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152762 ([(E)-[2-(5-methylfuran-2-yl)ethylidene]amino]thiou...) Show SMILES Cc1ccc(C\C=N\NC(N)=S)o1 Show InChI InChI=1S/C8H11N3OS/c1-6-2-3-7(12-6)4-5-10-11-8(9)13/h2-3,5H,4H2,1H3,(H3,9,11,13)/b10-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152766 ([(E)-{2-[4-(benzyloxy)phenyl]ethylidene}amino]thio...) Show SMILES NC(=S)N\N=C\Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H17N3OS/c17-16(21)19-18-11-10-13-6-8-15(9-7-13)20-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H3,17,19,21)/b18-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152765 ([(E)-(2-phenylethylidene)amino]thiourea (3j)) Show SMILES NC(=S)N\N=C\Cc1ccccc1 Show InChI InChI=1S/C9H11N3S/c10-9(13)12-11-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,10,12,13)/b11-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152768 ([(E)-[2-(pyren-1-yl)ethylidene]amino]thiourea (3m)) Show SMILES NC(=S)N\N=C\Cc1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C19H15N3S/c20-19(23)22-21-11-10-12-4-5-15-7-6-13-2-1-3-14-8-9-16(12)18(15)17(13)14/h1-9,11H,10H2,(H3,20,22,23)/b21-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in human HEK293 cells by patch clamp assay				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550 BindingDB Entry DOI: 10.7270/Q2RF5Z9F
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50559579 (CHEMBL4754334) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1 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+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human ERG by competitive fluorescence polarization assay				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550 BindingDB Entry DOI: 10.7270/Q2RF5Z9F
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 using tolubutamide as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550 BindingDB Entry DOI: 10.7270/Q2RF5Z9F
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50559580 (CHEMBL4761323) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 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	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50559579 (CHEMBL4754334) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1 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 human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50559579 (CHEMBL4754334) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1 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	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP3A4 using sorafenib as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM50229993 (2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...) Show SMILES NC(N)=S Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 using S-mephenytoin as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550 BindingDB Entry DOI: 10.7270/Q2RF5Z9F
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50559580 (CHEMBL4761323) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50559579 (CHEMBL4754334) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1 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	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50559579 (CHEMBL4754334) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using sorafenib as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550 BindingDB Entry DOI: 10.7270/Q2RF5Z9F
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50559580 (CHEMBL4761323) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 using dextromethorphan as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550 BindingDB Entry DOI: 10.7270/Q2RF5Z9F
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50559580 (CHEMBL4761323) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 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	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP3A4 using sorafenib as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50559579 (CHEMBL4754334) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1 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	4.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50559580 (CHEMBL4761323) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 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 ERG by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152767 ([(E)-{2-[4-(benzyloxy)-3-methoxyphenyl]ethylidene}...) Show SMILES COc1cc(C\C=N\NC(N)=S)ccc1OCc1ccccc1 Show InChI InChI=1S/C17H19N3O2S/c1-21-16-11-13(9-10-19-20-17(18)23)7-8-15(16)22-12-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3,(H3,18,20,23)/b19-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.51E+4	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
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Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 using phenacetin as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550 BindingDB Entry DOI: 10.7270/Q2RF5Z9F
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Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50559580 (CHEMBL4761323) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 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 liver microsome CYP1A2 using phenacetin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00606 BindingDB Entry DOI: 10.7270/Q2SJ1Q9C
					More data for this Ligand-Target Pair