BDBM50362709 CHEMBL1939782

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1

InChI Key: InChIKey=LRBQTFPUUPFJQW-UHFFFAOYSA-N

Data: 2 KI  2 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 = 50362709   

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 and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50362709 (CHEMBL1939782) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1 Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1019-22 (2012) Article DOI: 10.1016/j.bmcl.2011.11.127 BindingDB Entry DOI: 10.7270/Q2BV7H3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50362709 (CHEMBL1939782) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1 Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE5A using [3H]cAMP as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1019-22 (2012) Article DOI: 10.1016/j.bmcl.2011.11.127 BindingDB Entry DOI: 10.7270/Q2BV7H3J
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50362709 (CHEMBL1939782) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1 Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	858	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1019-22 (2012) Article DOI: 10.1016/j.bmcl.2011.11.127 BindingDB Entry DOI: 10.7270/Q2BV7H3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50362709 (CHEMBL1939782) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1 Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CK1delta				Bioorg Med Chem Lett 22: 1019-22 (2012) Article DOI: 10.1016/j.bmcl.2011.11.127 BindingDB Entry DOI: 10.7270/Q2BV7H3J
					More data for this Ligand-Target Pair