BDBM86525 AMI-193::CAS_77445::CHEMBL79834::NSC_77445

SMILES: Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1

InChI Key: InChIKey=FJUKDAZEABGEIH-UHFFFAOYSA-N

Data: 8 KI  1 IC50  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 10 hits for monomerid = 86525   

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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity against 5-hydroxytryptamine 2 receptor from rat frontal cortical regions using [3H]ketanserin as radioligand				J Med Chem 36: 2519-25 (1993) BindingDB Entry DOI: 10.7270/Q2QF8RZ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity against dopamine receptor D2				J Med Chem 36: 2519-25 (1993) BindingDB Entry DOI: 10.7270/Q2QF8RZ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	22.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004) Article DOI: 10.1007/s00210-004-0951-4 BindingDB Entry DOI: 10.7270/Q2M32TBD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]-8-OH-DPAT as radioligand				J Med Chem 36: 2519-25 (1993) BindingDB Entry DOI: 10.7270/Q2QF8RZ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004) Article DOI: 10.1007/s00210-004-0951-4 BindingDB Entry DOI: 10.7270/Q2M32TBD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004) Article DOI: 10.1007/s00210-004-0951-4 BindingDB Entry DOI: 10.7270/Q2M32TBD
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Mus musculus (Mouse))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity against dopamine receptor D1				J Med Chem 36: 2519-25 (1993) BindingDB Entry DOI: 10.7270/Q2QF8RZ9
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]-mesulergine as radioligand				J Med Chem 36: 2519-25 (1993) BindingDB Entry DOI: 10.7270/Q2QF8RZ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals A/S Curated by ChEMBL					Assay Description Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 10: 2435-9 (2001) BindingDB Entry DOI: 10.7270/Q2V69HTT
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair