BDBM50344314 CHEMBL1779432::rac-2-Benzyl-4a-methyl-4,4a,5,6-tetrahydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3-one

SMILES: CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2

InChI Key: InChIKey=FUHDPTQIFZAVRJ-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 = 50344314   

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))	BDBM50344314 (CHEMBL1779432 | rac-2-Benzyl-4a-methyl-4,4a,5,6-te...) Show SMILES CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2 |c:16| Show InChI InChI=1S/C21H20N4O/c1-21-11-10-16-19(17-9-5-6-12-24(17)22-16)20(21)23-25(18(26)13-21)14-15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3	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))	BDBM50344314 (CHEMBL1779432 | rac-2-Benzyl-4a-methyl-4,4a,5,6-te...) Show SMILES CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2 |c:16| Show InChI InChI=1S/C21H20N4O/c1-21-11-10-16-19(17-9-5-6-12-24(17)22-16)20(21)23-25(18(26)13-21)14-15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	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))	BDBM50344314 (CHEMBL1779432 | rac-2-Benzyl-4a-methyl-4,4a,5,6-te...) Show SMILES CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2 |c:16| Show InChI InChI=1S/C21H20N4O/c1-21-11-10-16-19(17-9-5-6-12-24(17)22-16)20(21)23-25(18(26)13-21)14-15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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