BDBM50011237 CHEMBL3260334::US9981909, Example 2

SMILES: Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1

InChI Key: InChIKey=PESCSIDMHOYAPM-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50011237   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to human SERT				ACS Med Chem Lett 5: 284-5 (2014) Article DOI: 10.1021/ml500082j BindingDB Entry DOI: 10.7270/Q2NZ8955
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to rat 5HT7 receptor				ACS Med Chem Lett 5: 284-5 (2014) Article DOI: 10.1021/ml500082j BindingDB Entry DOI: 10.7270/Q2NZ8955
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				ACS Med Chem Lett 5: 284-5 (2014) Article DOI: 10.1021/ml500082j BindingDB Entry DOI: 10.7270/Q2NZ8955
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor				ACS Med Chem Lett 5: 284-5 (2014) Article DOI: 10.1021/ml500082j BindingDB Entry DOI: 10.7270/Q2NZ8955
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2B receptor				ACS Med Chem Lett 5: 284-5 (2014) Article DOI: 10.1021/ml500082j BindingDB Entry DOI: 10.7270/Q2NZ8955
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				ACS Med Chem Lett 5: 284-5 (2014) Article DOI: 10.1021/ml500082j BindingDB Entry DOI: 10.7270/Q2NZ8955
					More data for this Ligand-Target Pair