BDBM50131044 13H-Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one::CHEMBL413956

SMILES: O=c1c2ccccc2[nH]c2c3nc4ccccc4c3ccn12

InChI Key: InChIKey=YSBDHHSWPXFVSR-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50131044   

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 1B1 (Homo sapiens (Human))	BDBM50131044 (13H-Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one...) Show SMILES O=c1c2ccccc2[nH]c2c3nc4ccccc4c3ccn12 Show InChI InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-10,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	69	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 1B1 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))	BDBM50131044 (13H-Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one...) Show SMILES O=c1c2ccccc2[nH]c2c3nc4ccccc4c3ccn12 Show InChI InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-10,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	30	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 1A1 (Homo sapiens (Human))	BDBM50131044 (13H-Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one...) Show SMILES O=c1c2ccccc2[nH]c2c3nc4ccccc4c3ccn12 Show InChI InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-10,20H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	32	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