BDBM50465910 CHEMBL4278465

SMILES: OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=CVRMQFHSOSVJET-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 50465910   

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
Monoamine transporter (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	458	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	744	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	782	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	812	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEK293T cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human 5HT1A receptor expressed in stable CHO cell membranes by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in HEK293FlpIN cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In CHO cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human DOR expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50465910 (CHEMBL4278465) Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human DAT expressed in HEK cells by radioligand binding assay				Bioorg Med Chem Lett 28: 3652-3657 (2018) Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N
					More data for this Ligand-Target Pair