BDBM50370603 CHEMBL4167315::US10954217, Example 00225

SMILES: COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1

InChI Key: InChIKey=LGSGJWDXMWVXEB-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 50370603   

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))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021)
					More data for this Ligand-Target Pair
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021)
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from human NET receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT2B receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	875	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT5A receptor expressed in Flp-In CHO cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	904	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D4 expressed in stable HEK cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Benzodiazepine receptors; peripheral & central (Rattus norvegicus (rat))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from PBR receptor in rat brain after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Rauwolscine from human adrenergic alpha2B receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Rauwolscine from human adrenergic alpha2A receptor expressed in stable MDCK cells after 90 mins by microbeta scintillation count...				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-WAY100635 from human 5-HT1A receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Win35428 from human DAT expressed in stable HEK cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Citalopram from human SERT receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from human 5-HT2C receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Rauwolscine from human adrenergic alpha2C receptor expressed in stable MDCK cells after 90 mins by microbeta scintillation count...				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human KOR expressed in stable HEK cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair