BDBM50006968 (3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocyclohepten-7-yl)-amine::CHEMBL296601

SMILES: C(CNC1CCc2ccccc2CC1)Cc1ccccc1

InChI Key: InChIKey=XMCZQFIGXDUMNK-UHFFFAOYSA-N

Data: 5 KI  3 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 8 hits for monomerid = 50006968   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of [3H]DTG binding to Sigma opioid receptor				J Med Chem 34: 1855-9 (1991) BindingDB Entry DOI: 10.7270/Q2WW7J9Z
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from GluN1a/GluN2B (unknown origin) expressed in L(tk-) cell membranes after 120 mins by scintillation counting analy...				Eur J Med Chem 157: 397-404 (2018) Article DOI: 10.1016/j.ejmech.2018.08.003 BindingDB Entry DOI: 10.7270/Q2XG9TTX
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method				Bioorg Med Chem 22: 6638-46 (2015) Article DOI: 10.1016/j.bmc.2014.10.004 BindingDB Entry DOI: 10.7270/Q2ZW1NH7
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from human recombinant GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method				Bioorg Med Chem 22: 6638-46 (2015) Article DOI: 10.1016/j.bmc.2014.10.004 BindingDB Entry DOI: 10.7270/Q2ZW1NH7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description In vitro binding affinity at PCP binding site of Sigma opioid receptor using (+)-[3H]-NANM as radioligand				J Med Chem 34: 1855-9 (1991) BindingDB Entry DOI: 10.7270/Q2WW7J9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]domperidone as radioligand				J Med Chem 34: 1855-9 (1991) BindingDB Entry DOI: 10.7270/Q2WW7J9Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50006968 ((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...) Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1 Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description In vitro binding affinity at Dopamine receptor D1 using [3H]SCH-23390 as radioligand				J Med Chem 34: 1855-9 (1991) BindingDB Entry DOI: 10.7270/Q2WW7J9Z
					More data for this Ligand-Target Pair