BDBM50364332 CHEMBL1949940

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1

InChI Key: InChIKey=VKSDHNUDPMJHKE-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50364332   

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))	BDBM50364332 (CHEMBL1949940) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1 Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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 human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364332 (CHEMBL1949940) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1 Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364332 (CHEMBL1949940) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1 Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair