BDBM50045883 CHEMBL99808::N,N-Dihexyl-2-(6H-isoindolo[2,1-a]indol-11-yl)-acetamide

SMILES: CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12

InChI Key: InChIKey=TZWKIWBBKZFDIF-UHFFFAOYSA-N

Data: 1 KI  8 IC50

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 9 hits for monomerid = 50045883   

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
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity against mitochondrial DBI complex (peripheral benzodiazepine receptor) using primary cultures of glial cells				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity, measured by displacement [3H]-CP-55,940 from cannabinoid receptor (CB1) in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]naxolone binding to opiate receptors in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity by measuring its ability to displace [3H]WB-4101 from alpha-adrenergic receptor in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity by measuring its ability to displace [3H]ketanserin from serotonin receptor in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity by measuring its ability to displace [3H]L-365,260 from cholecystokinin receptor in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50045883 (CHEMBL99808 | N,N-Dihexyl-2-(6H-isoindolo[2,1-a]in...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C29H38N2O/c1-3-5-7-13-19-30(20-14-8-6-4-2)28(32)21-26-25-17-11-12-18-27(25)31-22-23-15-9-10-16-24(23)29(26)31/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibitory activity by measuring its ability to displace [3H]3-PPP from opiate receptor in rat brain				J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV
					More data for this Ligand-Target Pair