BDBM50328503 (R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)methyl)acetamide::CHEMBL1259173

SMILES: CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12

InChI Key: InChIKey=YBCFDDCJLZVHPZ-HXUWFJFHSA-N

Data: 6 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 6 hits for monomerid = 50328503   

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
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50328503 ((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...) Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r| Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair
ADRA1B (C.H.O.)	BDBM50328503 ((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...) Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r| Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from hamster cloned alpha1b receptor				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50328503 ((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...) Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r| Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from rat cloned alpha1d receptor				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50328503 ((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...) Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r| Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50328503 ((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...) Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r| Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50328503 ((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...) Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r| Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
					More data for this Ligand-Target Pair