Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50328965'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50328965 (CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...) Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.3	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 1 (Homo sapiens (Human))	BDBM50328965 (CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...) Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.5	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 (Rattus norvegicus (rat))	BDBM50328965 (CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...) Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)	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	1.46E+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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50328965 (CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...) Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human brain CB1 receptor assessed as inhibition for [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