BDBM50131053 10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one::10-Methoxylrutaecarpine::CHEMBL85826::cid_378227

SMILES: COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1

InChI Key: InChIKey=JNHSRGXMKPJTEV-UHFFFAOYSA-N

Data: 6 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50131053   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
					More data for this Ligand-Target Pair
STAT3 (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.57E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZMV
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	185	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7
					More data for this Ligand-Target Pair
Transcription Factor STAT1 (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	<2.83	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2R49P7N
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL					Assay Description Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after...				Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 1A2 enzyme in bacterial membrane expressing human P450s				Bioorg Med Chem Lett 13: 2535-8 (2003) BindingDB Entry DOI: 10.7270/Q2805341
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human Cytochrome P450 1B1 expressed in bacterial membrane				Bioorg Med Chem Lett 13: 2535-8 (2003) BindingDB Entry DOI: 10.7270/Q2805341
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 1A1 enzyme in bacterial membrane expressing human P450s				Bioorg Med Chem Lett 13: 2535-8 (2003) BindingDB Entry DOI: 10.7270/Q2805341
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL					Assay Description Inhibition of human CYP1A1 expressed in Escherichia coli				Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW
					More data for this Ligand-Target Pair
STAT3 (Homo sapiens (Human))	BDBM50131053 (10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...) Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1 Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.86E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BV7F28
					More data for this Ligand-Target Pair