BDBM50491643 CHEMBL2387140

SMILES: CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C

InChI Key: InChIKey=FSYSOQAXVZSDSJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50491643   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50491643 (CHEMBL2387140) Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14| Show InChI InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4B (unknown origin)				Bioorg Med Chem Lett 23: 3438-42 (2013) Article DOI: 10.1016/j.bmcl.2013.03.072 BindingDB Entry DOI: 10.7270/Q2MP5665
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50491643 (CHEMBL2387140) Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14| Show InChI InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE2 catalytic domain (unknown origin)				Bioorg Med Chem Lett 23: 3443-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.082 BindingDB Entry DOI: 10.7270/Q2C53PR1
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50491643 (CHEMBL2387140) Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14| Show InChI InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4B catalytic domain (unknown origin)				Bioorg Med Chem Lett 23: 3443-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.082 BindingDB Entry DOI: 10.7270/Q2C53PR1
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50491643 (CHEMBL2387140) Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14| Show InChI InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE2 (unknown origin)				Bioorg Med Chem Lett 23: 3438-42 (2013) Article DOI: 10.1016/j.bmcl.2013.03.072 BindingDB Entry DOI: 10.7270/Q2MP5665
					More data for this Ligand-Target Pair