BDBM50151605 4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-6-yl]phenyl-4-methylhexahydro-1-pyrazinylmethanone::CHEMBL183465

SMILES: CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1

InChI Key: InChIKey=UNFGOVWIPVJXET-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50151605   

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 1 (Homo sapiens (Human))	BDBM50151605 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H29ClN4O2/c1-29-11-13-30(14-12-29)23(31)18-7-5-17(6-8-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H2,27,28,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 1 partially purified from THP-1 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50151605 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H29ClN4O2/c1-29-11-13-30(14-12-29)23(31)18-7-5-17(6-8-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H2,27,28,32)	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	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 5				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50151605 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H29ClN4O2/c1-29-11-13-30(14-12-29)23(31)18-7-5-17(6-8-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H2,27,28,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50151605 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H29ClN4O2/c1-29-11-13-30(14-12-29)23(31)18-7-5-17(6-8-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H2,27,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 3A3 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50151605 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H29ClN4O2/c1-29-11-13-30(14-12-29)23(31)18-7-5-17(6-8-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H2,27,28,32)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair