BDBM50240701 2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-benzo[f]azulene::4-Desmethylolanzapine::CHEMBL1125::desmethylolanzapine::olanzapine, N-desmethyl

SMILES: Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1

InChI Key: InChIKey=FHPIXVHJEIZKJW-UHFFFAOYSA-N

Data: 10 KI  3 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 = 50240701   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal Dopamine receptor D2				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against histamine H1 neuronal receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	333	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against muscarinic neuronal receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal Beta adrenergic receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human ERG channel in HEK293 cells by voltage-clamp method				Eur J Med Chem 43: 2479-88 (2008) Article DOI: 10.1016/j.ejmech.2007.12.025 BindingDB Entry DOI: 10.7270/Q2542PTB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG channel				J Med Chem 52: 4266-76 (2009) Article DOI: 10.1021/jm900002x BindingDB Entry DOI: 10.7270/Q2MK6DT2
					More data for this Ligand-Target Pair