BDBM50344312 CHEMBL1779430::rac-2-Benzyl-4,4a,5,6-tetrahydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3-one

SMILES: O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1

InChI Key: InChIKey=NKDUEEAIIYMKAZ-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 = 50344312   

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))	BDBM50344312 (CHEMBL1779430 | rac-2-Benzyl-4,4a,5,6-tetrahydro-2...) Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1 |c:18| Show InChI InChI=1S/C20H18N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50344312 (CHEMBL1779430 | rac-2-Benzyl-4,4a,5,6-tetrahydro-2...) Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1 |c:18| Show InChI InChI=1S/C20H18N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50344312 (CHEMBL1779430 | rac-2-Benzyl-4,4a,5,6-tetrahydro-2...) Show SMILES O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1 |c:18| Show InChI InChI=1S/C20H18N4O/c25-18-12-15-9-10-16-19(17-8-4-5-11-23(17)21-16)20(15)22-24(18)13-14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair