BDBM85027 1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]piperidine-4-yl]propane-1-one::RS 100235

SMILES: COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC

InChI Key: InChIKey=UVOCSZKGWJOKNN-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 85027   

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
HTR4 (RAT)	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.000400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									Neuroreport 8: 3189-96 (1997) Article DOI: 10.1097/00001756-199710200-00002 BindingDB Entry DOI: 10.7270/Q2TD9VWM
					More data for this Ligand-Target Pair
HTR4 (RAT)	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.000480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									Neuroreport 8: 3189-96 (1997) Article DOI: 10.1097/00001756-199710200-00002 BindingDB Entry DOI: 10.7270/Q2TD9VWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.000580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									Neuroreport 8: 3189-96 (1997) Article DOI: 10.1097/00001756-199710200-00002 BindingDB Entry DOI: 10.7270/Q2TD9VWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.000630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									Neuroreport 8: 3189-96 (1997) Article DOI: 10.1097/00001756-199710200-00002 BindingDB Entry DOI: 10.7270/Q2TD9VWM
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									FASEB J 10: 1398-407 (1996) Article DOI: 10.1096/fasebj.10.12.8903510 BindingDB Entry DOI: 10.7270/Q2TQ602G
					More data for this Ligand-Target Pair
Serotonin 4 (5-HT4) receptor (GUINEA PIG)	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against 5-hydroxytryptamine 4 receptor using radioligand binding assay using [3H]GR as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Alpha-2A adrenergic receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Alpha-1C adrenergic receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Dopamine D2 receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Alpha-1B adrenergic receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Serotonin 1a (5-HT1a) receptor (Mus musculus (Mouse))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Muscarinic M2 receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against 5-hydroxytryptamine 2C receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Muscarinic M1 receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Muscarinic M3 receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents		2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Alpha-2B adrenergic receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Dopamine D1 receptor using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Angiotensin II receptor, type 2 using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM85027 (1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...) Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents		<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity against Angiotensin II receptor, type 1 using radioligand binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2CTV
					More data for this Ligand-Target Pair