BDBM85198 CAS_127096::Hydroxynefazodone::NSC_127096

SMILES: CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1

InChI Key: InChIKey=PPJRQXMDFSRWFH-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 85198   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	612	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	664	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	728	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM85198 (CAS_127096 | Hydroxynefazodone | NSC_127096) Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
					More data for this Ligand-Target Pair