BDBM50474937 CHEMBL191460

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1

InChI Key: InChIKey=SEQAMPXQRKYYQF-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 50474937   

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 5A (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human alpha-1B-adrenergic receptor expressed in CHO cells using the radioligand [3H]prazosin				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 1B expressed in CHO cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 2C expressed in HEK 293 cells using the radioligand [3H]mesulergine				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 1D expressed in CHO cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 1A expressed in HEK 293 cells using the radioligand [3H]8-OH-DPAT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D3 expressed in CHO cells using the radioligand [125I]iodosulpiride				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells using the radioligand [125I]iodosulpiride				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 2A expressed in HEK 293 cells using the radioligand [3H]ketanserin				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 2B expressed in HEK 293 cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D2 expressed in CHO cells using the radioligand [125I]iodosulpiride				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 6 expressed in HeLa cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 7 expressed in HEK 293 cells using the radioligand [3H]5-CT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 1E expressed in HEK 293 cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 1F expressed in HEK 293 cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair