BDBM50461709 CHEMBL4225349

SMILES: Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1Cl

InChI Key: InChIKey=SXOSAVAARDEMIU-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50461709   

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))	BDBM50461709 (CHEMBL4225349) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1Cl Show InChI InChI=1S/C28H23Cl3N6/c29-20-9-11-21(12-10-20)37-26(22-6-2-4-8-24(22)31)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-1-3-7-23(19)30/h1-12,18H,13-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	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))	BDBM50461709 (CHEMBL4225349) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1Cl Show InChI InChI=1S/C28H23Cl3N6/c29-20-9-11-21(12-10-20)37-26(22-6-2-4-8-24(22)31)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-1-3-7-23(19)30/h1-12,18H,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia 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]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)	BDBM50461709 (CHEMBL4225349) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1Cl Show InChI InChI=1S/C28H23Cl3N6/c29-20-9-11-21(12-10-20)37-26(22-6-2-4-8-24(22)31)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-1-3-7-23(19)30/h1-12,18H,13-17H2	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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50461709 (CHEMBL4225349) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1Cl Show InChI InChI=1S/C28H23Cl3N6/c29-20-9-11-21(12-10-20)37-26(22-6-2-4-8-24(22)31)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-1-3-7-23(19)30/h1-12,18H,13-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	462	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Inverse agonist activity human CB1 expressed in CHOK1 cells co-expressing Galpha-q16 incubated for 60 secs by Calcein-4 AM dye-based FLIPR assay				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