BDBM50328958 CHEMBL1270463::N-{7-[(7-Aminoheptyl)amino]heptyl}-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN

InChI Key: InChIKey=MLCMEJXDYUTCBX-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 = 50328958   

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))	BDBM50328958 (CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50328958 (CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50328958 (CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	622	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50328958 (CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair