BDBM50040243 8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]thiazepine(isoclothiapine)::8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]thiazepine::8-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine::CHEMBL67284

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12

InChI Key: InChIKey=KPQVFXHERXUYEX-UHFFFAOYSA-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 = 50040243   

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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity against dopamine D2 receptor				J Med Chem 37: 519-25 (1994) BindingDB Entry DOI: 10.7270/Q2HX1DWK
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D1				J Med Chem 37: 519-25 (1994) BindingDB Entry DOI: 10.7270/Q2HX1DWK
					More data for this Ligand-Target Pair