BDBM50100659 CHEMBL544289::methyl 2-(4-aminophenyl)-1-oxo-7-(3-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylate. dihydrochloride

SMILES: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1

InChI Key: InChIKey=XFNGJTCNIOOLJU-UHFFFAOYSA-N

Data: 5 IC50  1 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 6 hits for monomerid = 50100659   

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 4 (Homo sapiens (Human))	BDBM50100659 (CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of canine lung Phosphodiesterase 4 (PDE4)				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM50100659 (CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3	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 2A (Bos taurus)	BDBM50100659 (CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (Rattus norvegicus)	BDBM50100659 (CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+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 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)	BDBM50100659 (CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50100659 (CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Relaxant effect on isolated rabbit corpus cavernosum				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair