BDBM50100683 2-(4-aminophenyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylic acid.dihydrochloride::CHEMBL544057

SMILES: COc1cc(cc(OC)c1OC)-c1c(C(O)=O)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12

InChI Key: InChIKey=ZUVPTUUOKZXGAA-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 = 50100683   

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
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM50100683 (2-(4-aminophenyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C(O)=O)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12 Show InChI InChI=1S/C31H27N3O7/c1-38-25-14-18(15-26(39-2)29(25)40-3)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(35)34(28(27)31(36)37)21-9-7-19(32)8-10-21/h4-16H,17,32H2,1-3H3,(H,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against canine heart Phosphodiesterase 3 (PDE3)				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (Rattus norvegicus)	BDBM50100683 (2-(4-aminophenyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C(O)=O)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12 Show InChI InChI=1S/C31H27N3O7/c1-38-25-14-18(15-26(39-2)29(25)40-3)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(35)34(28(27)31(36)37)21-9-7-19(32)8-10-21/h4-16H,17,32H2,1-3H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Canis lupus familiaris)	BDBM50100683 (2-(4-aminophenyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C(O)=O)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12 Show InChI InChI=1S/C31H27N3O7/c1-38-25-14-18(15-26(39-2)29(25)40-3)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(35)34(28(27)31(36)37)21-9-7-19(32)8-10-21/h4-16H,17,32H2,1-3H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair