BDBM50118253 1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl)-pyrimidin-2-yl]-1,2,3,9-tetrahydro-beta-carbolin-4-one::CHEMBL133285

SMILES: COc1ccc(cc1OC)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1

InChI Key: InChIKey=KMTKHFJNSNSBKT-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50118253   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50118253 (1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...) Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1 Show InChI InChI=1S/C30H24N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-22(35)27-20-5-3-4-6-21(20)33-28(27)29(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,29,33H,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin)				Eur J Med Chem 158: 767-780 (2018) Article DOI: 10.1016/j.ejmech.2018.09.028 BindingDB Entry DOI: 10.7270/Q2JS9T4N
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50118253 (1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...) Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1 Show InChI InChI=1S/C30H24N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-22(35)27-20-5-3-4-6-21(20)33-28(27)29(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,29,33H,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human corpus cavernosum PDE5				Eur J Med Chem 150: 30-38 (2018) Article DOI: 10.1016/j.ejmech.2018.02.039 BindingDB Entry DOI: 10.7270/Q2222XCS
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50118253 (1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...) Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1 Show InChI InChI=1S/C30H24N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-22(35)27-20-5-3-4-6-21(20)33-28(27)29(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,29,33H,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory activity against PDE5 from human corpus cavernosum				Bioorg Med Chem Lett 13: 761-5 (2003) BindingDB Entry DOI: 10.7270/Q29886CM
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50118253 (1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...) Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1 Show InChI InChI=1S/C30H24N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-22(35)27-20-5-3-4-6-21(20)33-28(27)29(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,29,33H,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Phosphodiesterase 5 activity of human corpus cavernosum				J Med Chem 45: 4094-6 (2002) BindingDB Entry DOI: 10.7270/Q2R49RGM
					More data for this Ligand-Target Pair