BDBM50100671 3N-methyl-2-(4-aminophenyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxamide.dihydrochloride::CHEMBL553083

SMILES: CNC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1

InChI Key: InChIKey=BERVDNLIMZPNGT-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 = 50100671   

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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase (Rattus norvegicus)	BDBM50100671 (3N-methyl-2-(4-aminophenyl)-1-oxo-7-(2-pyridylmeth...) Show SMILES CNC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H30N4O6/c1-34-31(37)29-28(19-15-26(39-2)30(41-4)27(16-19)40-3)24-13-12-23(42-18-21-7-5-6-14-35-21)17-25(24)32(38)36(29)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt 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-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50100671 (3N-methyl-2-(4-aminophenyl)-1-oxo-7-(2-pyridylmeth...) Show SMILES CNC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H30N4O6/c1-34-31(37)29-28(19-15-26(39-2)30(41-4)27(16-19)40-3)24-13-12-23(42-18-21-7-5-6-14-35-21)17-25(24)32(38)36(29)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3,(H,34,37)	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
cGMP-specific 3',5'-cyclic phosphodiesterase (Canis lupus familiaris)	BDBM50100671 (3N-methyl-2-(4-aminophenyl)-1-oxo-7-(2-pyridylmeth...) Show SMILES CNC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H30N4O6/c1-34-31(37)29-28(19-15-26(39-2)30(41-4)27(16-19)40-3)24-13-12-23(42-18-21-7-5-6-14-35-21)17-25(24)32(38)36(29)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	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