BDBM15337 (5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one::(5R)-6-[4-({2-[(3-iodophenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one::MERCK1::dihydropyridazinone 14e

SMILES: C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1

InChI Key: InChIKey=QNURTFDBHAQRSI-OAHLLOKOSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 15337   

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 Type 3 (PDE3B) (Homo sapiens (Human))	BDBM15337 ((5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-...) Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1 |r,c:6,14| Show InChI InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...				Bioorg Med Chem Lett 13: 3983-7 (2003) Article DOI: 10.1016/j.bmcl.2003.08.056 BindingDB Entry DOI: 10.7270/Q2JD4V11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase Type 3 (PDE3B) (Homo sapiens (Human))	BDBM15337 ((5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-...) Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1 |r,c:6,14| Show InChI InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...				Biochemistry 43: 6091-100 (2004) Article DOI: 10.1021/bi049868i BindingDB Entry DOI: 10.7270/Q2DR2SQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase Type 3 (PDE3A) (Homo sapiens (Human))	BDBM15337 ((5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-...) Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1 |r,c:6,14| Show InChI InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1	PDB KEGG DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...				Bioorg Med Chem Lett 13: 3983-7 (2003) Article DOI: 10.1016/j.bmcl.2003.08.056 BindingDB Entry DOI: 10.7270/Q2JD4V11
					More data for this Ligand-Target Pair