BDBM50461689 CHEMBL4229155

SMILES: CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccncc1

InChI Key: InChIKey=AFCVBBFSNCLHTN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50461689   

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 1 (Homo sapiens (Human))	BDBM50461689 (CHEMBL4229155) Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccncc1 Show InChI InChI=1S/C28H25Cl2N7/c1-19(20-10-12-31-13-11-20)35-14-16-36(17-15-35)27-25-28(33-18-32-27)37(22-8-6-21(29)7-9-22)26(34-25)23-4-2-3-5-24(23)30/h2-13,18-19H,14-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50461689 (CHEMBL4229155) Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccncc1 Show InChI InChI=1S/C28H25Cl2N7/c1-19(20-10-12-31-13-11-20)35-14-16-36(17-15-35)27-25-28(33-18-32-27)37(22-8-6-21(29)7-9-22)26(34-25)23-4-2-3-5-24(23)30/h2-13,18-19H,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50461689 (CHEMBL4229155) Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccncc1 Show InChI InChI=1S/C28H25Cl2N7/c1-19(20-10-12-31-13-11-20)35-14-16-36(17-15-35)27-25-28(33-18-32-27)37(22-8-6-21(29)7-9-22)26(34-25)23-4-2-3-5-24(23)30/h2-13,18-19H,14-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG expressed in HEK cell membranes after 60 mins by scintillation counting method				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair