BDBM50237799 CHEMBL4069196

SMILES: O=c1n(Cc2ccccc2)c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn12

InChI Key: InChIKey=ANUHVXTXGNXMTG-UHFFFAOYSA-N

Data: 3 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 = 50237799   

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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM50237799 (CHEMBL4069196) Show SMILES O=c1n(Cc2ccccc2)c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn12 Show InChI InChI=1S/C23H25N5O2S/c29-23-27(13-16-4-2-1-3-5-16)22-20(21-24-15-25-28(21)23)18-6-9-26(14-19(18)31-22)12-17-7-10-30-11-8-17/h1-5,15,17H,6-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50237799 (CHEMBL4069196) Show SMILES O=c1n(Cc2ccccc2)c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn12 Show InChI InChI=1S/C23H25N5O2S/c29-23-27(13-16-4-2-1-3-5-16)22-20(21-24-15-25-28(21)23)18-6-9-26(14-19(18)31-22)12-17-7-10-30-11-8-17/h1-5,15,17H,6-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50237799 (CHEMBL4069196) Show SMILES O=c1n(Cc2ccccc2)c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn12 Show InChI InChI=1S/C23H25N5O2S/c29-23-27(13-16-4-2-1-3-5-16)22-20(21-24-15-25-28(21)23)18-6-9-26(14-19(18)31-22)12-17-7-10-30-11-8-17/h1-5,15,17H,6-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE10A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis after 1 hr by IMAP assay				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair