BDBM50150238 CHEMBL3770107

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12

InChI Key: InChIKey=HLJDFQMSWCGSIM-SJORKVTESA-N

Data: 9 KI

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 9 hits for monomerid = 50150238   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE5A using fluorescent labeled cGMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE10A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human PDE3B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE11A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human PDE2A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50150238 (CHEMBL3770107) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(nc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE9A using fluorescent labeled cGMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair