BDBM9274 CHEMBL1822893::US8835436, Example 8

SMILES: Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1

InChI Key: InChIKey=QDRMTYQLXZSORG-UHFFFAOYSA-N

Data: 13 IC50

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 = 9274   

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 2C (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of 5HT1A receptor by competition binding assay				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of 5HT6 receptor by competition binding assay				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of 5HT7 receptor by competition binding assay				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of dopamine D3 receptor by competition binding assay				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description inhibition of dopamine D4 receptor by competition binding assay				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG expressed in HEK293 cells				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant serotonin 5-HT2A receptor expressed in CHO-K1 cells				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM9274 (CHEMBL1822893 | US8835436, Example 8) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	908	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of dopamine D2 receptor by competition binding assay				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair