BDBM50100673 CHEMBL538498::methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-(2-pyridylmethoxy)-1,2-dihydro-3-isoquinolinecarboxylate.dihydrochloride

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

InChI Key: InChIKey=AWFWBKQUFWRGAM-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 = 50100673   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50100673 (CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...) Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3	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	44	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
Phosphodiesterase 1 (Rattus norvegicus)	BDBM50100673 (CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...) Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	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
Phosphodiesterase 2A (Bos taurus)	BDBM50100673 (CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...) Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	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 3 (Homo sapiens (Human))	BDBM50100673 (CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...) Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40E+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 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 4 (Homo sapiens (Human))	BDBM50100673 (CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...) Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	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
cGMP-specific 3',5'-cyclic phosphodiesterase (Canis lupus familiaris)	BDBM50100673 (CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...) Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	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