BDBM50477397 CHEMBL391661

SMILES: Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1

InChI Key: InChIKey=GRNSMKAYAMENDT-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50477397   

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 1A (Rattus norvegicus (rat))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at rat 5HT1A receptor				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]WAY-100635 from human cloned 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at SERT in rat cortical synaptosomes				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5CT from human cloned 5HT7a receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB 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 Displacement of [3H]5-HT from human cloned 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	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 Displacement of [3H]5-HT from human cloned 5HT2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human cloned 5HT1B receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human cloned D3 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51E+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 at adrenergic beta 1 receptor				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human cloned D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50477397 (CHEMBL391661) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair