BDBM50055523 CHEMBL3321792

SMILES: OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1

InChI Key: InChIKey=QHLAPIQLWATZKM-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 = 50055523   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes				Bioorg Med Chem 27: 2421-2426 (2019) Article DOI: 10.1016/j.bmc.2019.01.035
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes				Bioorg Med Chem 27: 2421-2426 (2019) Article DOI: 10.1016/j.bmc.2019.01.035
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H] 8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
Dopamine receptor (RAT)	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes				Bioorg Med Chem 27: 2421-2426 (2019) Article DOI: 10.1016/j.bmc.2019.01.035
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes				Bioorg Med Chem 27: 2421-2426 (2019) Article DOI: 10.1016/j.bmc.2019.01.035
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human Serotonin transporter by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human 5-HT2A receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]GBR12935 from human dopamine transporter by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human Norepinephrine transporter by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	882	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human histamine H1 receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from rat 5-HT2C receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50055523 (CHEMBL3321792) Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7| Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor by liquid scintillation counting				Bioorg Med Chem Lett 24: 4294-7 (2014) Article DOI: 10.1016/j.bmcl.2014.07.018 BindingDB Entry DOI: 10.7270/Q2222WF8
					More data for this Ligand-Target Pair