Compile Data Set for Download or QSAR

Found 36 hits of ic50 for UniProtKB: P00185   

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 1A1 (Rattus norvegicus)	BDBM50380109 (CHEMBL2013099) Show SMILES Nn1c(NN=C2C(=O)Nc3ccccc23)nnc(Cc2ccccc2)c1=O |w:4.3| Show InChI InChI=1S/C18H15N7O2/c19-25-17(27)14(10-11-6-2-1-3-7-11)21-23-18(25)24-22-15-12-8-4-5-9-13(12)20-16(15)26/h1-9H,10,19H2,(H,23,24)(H,20,22,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.42	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380110 (CHEMBL2013100) Show SMILES COc1ccc(Cc2nnc(NN=C3C(=O)Nc4ccccc34)n(N)c2=O)cc1 |w:12.11| Show InChI InChI=1S/C19H17N7O3/c1-29-12-8-6-11(7-9-12)10-15-18(28)26(20)19(24-22-15)25-23-16-13-4-2-3-5-14(13)21-17(16)27/h2-9H,10,20H2,1H3,(H,24,25)(H,21,23,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.53	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380107 (CHEMBL2013097) Show SMILES CC(=O)NN1C2=NN(C(C)=O)C(C)(N2N=C(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 |t:5,15| Show InChI InChI=1S/C22H21ClN6O3/c1-14(30)24-27-20(32)19(13-16-7-5-4-6-8-16)25-29-21(27)26-28(15(2)31)22(29,3)17-9-11-18(23)12-10-17/h4-12H,13H2,1-3H3,(H,24,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.69	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380108 (CHEMBL2013098) Show SMILES CC(=O)NN1C2=NN(C(C)=O)C(C)(N2N=C(Cc2ccccc2)C1=O)c1ccc(C)cc1 |t:5,15| Show InChI InChI=1S/C23H24N6O3/c1-15-10-12-19(13-11-15)23(4)28(17(3)31)26-22-27(24-16(2)30)21(32)20(25-29(22)23)14-18-8-6-5-7-9-18/h5-13H,14H2,1-4H3,(H,24,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.62	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380111 (CHEMBL2013101) Show SMILES CC(=O)N(N1C2=NN(C(C)=O)C3(N2N=C(Cc2ccccc2)C1=O)C(=O)N(C(C)=O)c1ccccc31)C(C)=O |t:5,14| Show InChI InChI=1S/C26H23N7O6/c1-15(34)29-22-13-9-8-12-20(22)26(24(29)39)32(18(4)37)28-25-31(30(16(2)35)17(3)36)23(38)21(27-33(25)26)14-19-10-6-5-7-11-19/h5-13H,14H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.74	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380106 (CHEMBL2013096) Show SMILES COc1ccc(CC2=NN3C(=NN(C(C)=O)C3(C)c3ccccc3)N(NC(C)=O)C2=O)cc1 |c:10,t:7| Show InChI InChI=1S/C23H24N6O4/c1-15(30)24-27-21(32)20(14-17-10-12-19(33-4)13-11-17)25-29-22(27)26-28(16(2)31)23(29,3)18-8-6-5-7-9-18/h5-13H,14H2,1-4H3,(H,24,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.36	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380103 (CHEMBL2013093) Show SMILES COc1ccc(cc1)C1N(N=C2N1N=C(Cc1ccccc1)C(=O)N2N(C(C)=O)C(C)=O)C(C)=O |c:11,t:15| Show InChI InChI=1S/C24H24N6O5/c1-15(31)27-22(19-10-12-20(35-4)13-11-19)28-24(26-27)30(29(16(2)32)17(3)33)23(34)21(25-28)14-18-8-6-5-7-9-18/h5-13,22H,14H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.71	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380104 (CHEMBL2013094) Show SMILES COc1ccc(CC2=NN3C(=NN(C(C)=O)C3(C)c3ccc(C)cc3)N(N(C(C)=O)C(C)=O)C2=O)cc1 |c:10,t:7| Show InChI InChI=1S/C26H28N6O5/c1-16-7-11-21(12-8-16)26(5)31(19(4)35)28-25-30(29(17(2)33)18(3)34)24(36)23(27-32(25)26)15-20-9-13-22(37-6)14-10-20/h7-14H,15H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380105 (CHEMBL2013095) Show SMILES CC(=O)NN1C2=NN(C(C)=O)C(C)(N2N=C(Cc2ccccc2)C1=O)c1ccccc1 |t:5,15| Show InChI InChI=1S/C22H22N6O3/c1-15(29)23-26-20(31)19(14-17-10-6-4-7-11-17)24-28-21(26)25-27(16(2)30)22(28,3)18-12-8-5-9-13-18/h4-13H,14H2,1-3H3,(H,23,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380101 (CHEMBL2013091) Show SMILES CC(=O)N(N1C2=NN(C(N2N=C(Cc2ccccc2)C1=O)c1ccccc1)C(C)=O)C(C)=O |t:5,11| Show InChI InChI=1S/C23H22N6O4/c1-15(30)26-21(19-12-8-5-9-13-19)27-23(25-26)29(28(16(2)31)17(3)32)22(33)20(24-27)14-18-10-6-4-7-11-18/h4-13,21H,14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.2	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380112 (CHEMBL2013102) Show SMILES COc1ccc(CC2=NN3C(=NN(C(C)=O)C33C(=O)N(C(C)=O)c4ccccc34)N(N(C(C)=O)C(C)=O)C2=O)cc1 |c:10,t:7| Show InChI InChI=1S/C27H25N7O7/c1-15(35)30-23-9-7-6-8-21(23)27(25(30)40)33(18(4)38)29-26-32(31(16(2)36)17(3)37)24(39)22(28-34(26)27)14-19-10-12-20(41-5)13-11-19/h6-13H,14H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61.4	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50380102 (CHEMBL2013092) Show SMILES COc1ccc(CC2=NN3C(N(N=C3N(N(C(C)=O)C(C)=O)C2=O)C(C)=O)c2ccccc2)cc1 |c:12,t:7| Show InChI InChI=1S/C24H24N6O5/c1-15(31)27-22(19-8-6-5-7-9-19)28-24(26-27)30(29(16(2)32)17(3)33)23(34)21(25-28)14-18-10-12-20(35-4)13-11-18/h5-13,22H,14H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86.7	n/a	n/a	n/a	n/a	n/a	n/a
King Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis				Bioorg Med Chem 20: 2624-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.041 BindingDB Entry DOI: 10.7270/Q2ZG6T7G
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404853 (CHEMBL156313) Show SMILES c1nc2cc3ccccc3cc2[nH]1 Show InChI InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-7H,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on Aryl hydrocarbon hydroxylase activity in 3-methylcolanthrene-induced rat liver microsomes at 2.6x10E-4M				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404855 (CHEMBL158007) Show SMILES CCCCCCCCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404855 (CHEMBL158007) Show SMILES CCCCCCCCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) Show SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404852 (CHEMBL345675) Show SMILES CCCCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404852 (CHEMBL345675) Show SMILES CCCCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM24656 (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404854 (CHEMBL155867) Show SMILES CCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404854 (CHEMBL155867) Show SMILES CCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404853 (CHEMBL156313) Show SMILES c1nc2cc3ccccc3cc2[nH]1 Show InChI InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-7H,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50208872 (5,6-dimethyl-1H-benzimidazole | 5,6-dimethylbenzim...) Show SMILES Cc1cc2nc[nH]c2cc1C Show InChI InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50208872 (5,6-dimethyl-1H-benzimidazole | 5,6-dimethylbenzim...) Show SMILES Cc1cc2nc[nH]c2cc1C Show InChI InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404851 (CHEMBL156439) Show SMILES CCc1nc2cc(C)c(C)cc2[nH]1 Show InChI InChI=1S/C11H14N2/c1-4-11-12-9-5-7(2)8(3)6-10(9)13-11/h5-6H,4H2,1-3H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404851 (CHEMBL156439) Show SMILES CCc1nc2cc(C)c(C)cc2[nH]1 Show InChI InChI=1S/C11H14N2/c1-4-11-12-9-5-7(2)8(3)6-10(9)13-11/h5-6H,4H2,1-3H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404856 (CHEMBL156134) Show SMILES Cc1nc2cc(C)c(C)cc2[nH]1 Show InChI InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404856 (CHEMBL156134) Show SMILES Cc1nc2cc(C)c(C)cc2[nH]1 Show InChI InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404849 (CHEMBL348508) Show SMILES CCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404849 (CHEMBL348508) Show SMILES CCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404858 (CHEMBL351569) Show SMILES CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404858 (CHEMBL351569) Show SMILES CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404850 (CHEMBL309135) Show SMILES Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404850 (CHEMBL309135) Show SMILES Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) Show SMILES c1nc2ccccc2[nH]1 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) Show SMILES c1nc2ccccc2[nH]1 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair