BindingDB PrimarySearch

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50007219
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 1A2 (Homo sapiens (Human))	BDBM50507479 (CHEMBL4447260) Show SMILES COc1cc(OCCn2ccnc2)cc(\C=C\c2cccs2)c1 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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene \| 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 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	2	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50507479 (CHEMBL4447260) Show SMILES COc1cc(OCCn2ccnc2)cc(\C=C\c2cccs2)c1 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	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50108052 (1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene \| 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 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	11	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE \| 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50507479 (CHEMBL4447260) Show SMILES COc1cc(OCCn2ccnc2)cc(\C=C\c2cccs2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE \| 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene \| 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 Show InChI	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE \| 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50108052 (1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50108052 (1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409 BindingDB Entry DOI: 10.7270/Q2V1284K
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair