BDBM50219083 CHEMBL316081

SMILES: CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12

InChI Key: InChIKey=WFMXGGGKNJIUGJ-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50219083   

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 6 (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-hydroxytryptamine 1D receptor in CHO cells using [3H]5-HT as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to human cloned 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-HT as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to human cloned 5-hydroxytryptamine 1A receptor in HEK 293 cells using [3H]-8-OH- DPAT as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to human cloned 5-hydroxytryptamine 2A receptor in HEK 293 cells using [3H]- ketanserin as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Binding affinity to human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]-5-CT as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to human cloned Dopamine receptor D3 in CHO cells using [125I]- iodosulpride as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Binding affinity to human cloned 5-hydroxytryptamine 2C receptor in HEK 293 cells using [3H]- mesulergine as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Binding affinity to human cloned Dopamine receptor D2 in CHO cells using [125I]- iodosulpride as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to human cloned 5-HT2B receptor in HEK 293 cells using [3H]- -5-HT as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair