BDBM76042 MLS-0437140.0001::[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-pyridin-4-ylmethanone::[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-4-yl-methanone::[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-4-ylmethanone::[4-(2,7-dimethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(4-pyridyl)methanone::cid_46864267

SMILES: CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21

InChI Key: InChIKey=NSERVXSNVYYJSH-UHFFFAOYSA-N

Data: 4 IC50  3 EC50

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 7 hits for monomerid = 76042   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM76042 (MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21 Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2348HTX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM76042 (MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21 Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC81B1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM76042 (MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21 Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TM78KV
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM76042 (MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21 Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29K48QH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM76042 (MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21 Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2K35S3P
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM76042 (MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21 Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libr...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FB51DS
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM76042 (MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21 Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PV6HTP
					More data for this Ligand-Target Pair