BDBM50219081 CHEMBL261917

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1

InChI Key: InChIKey=SHILVAMBAMVDBR-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 = 50219081   

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))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity 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))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-hydroxytryptamine 6 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 1A (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.59E+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 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 2C (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	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 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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB UniProtKB/SwissProt 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 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 2B (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	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-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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	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-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(2) dopamine receptor (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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