BDBM50289291 2-Hydroxy-methylolanzapine::CHEMBL100454::[10-(4-Methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulen-2-yl]-methanol

SMILES: CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12

InChI Key: InChIKey=FPDIERBPQFAFSI-UHFFFAOYSA-N

Data: 8 KI  1 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 9 hits for monomerid = 50289291   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	6	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
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	12	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
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	18	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))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	66	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
Muscarinic acetylcholine receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	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	501	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))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	783	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))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	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 Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...				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))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	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	1.15E+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