BDBM50516251 CHEMBL4449377

SMILES: Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCC1)-c1ccccc1Cl

InChI Key: InChIKey=LAZZAAKRRFJCNI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50516251   

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))	BDBM50516251 (CHEMBL4449377) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-18-9-11-21(12-10-18)37-25(22-7-3-4-8-23(22)30)35-24-26(31-17-32-27(24)37)36-15-13-20(14-16-36)34-28(38)33-19-5-1-2-6-19/h3-4,7-12,17,19-20H,1-2,5-6,13-16H2,(H2,33,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 CB1 receptor expressed in HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50516251 (CHEMBL4449377) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-18-9-11-21(12-10-18)37-25(22-7-3-4-8-23(22)30)35-24-26(31-17-32-27(24)37)36-15-13-20(14-16-36)34-28(38)33-19-5-1-2-6-19/h3-4,7-12,17,19-20H,1-2,5-6,13-16H2,(H2,33,34,38)	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 receptor expressed in HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727
					More data for this Ligand-Target Pair