BDBM50137980 1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene::CHEMBL176169

SMILES: CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12

InChI Key: InChIKey=RLPMXJWKLTTXDD-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50137980   

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 2A (Rattus norvegicus (rat))	BDBM50137980 (1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...) Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50137980 (1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...) Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards Histamine H1 receptor of rat frontal cortex homogenate by using radioligand [3H]pyrilamine				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50137980 (1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...) Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1 adrenergic receptor in rat frontal cortex homogenate using of [3H]prazosin as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50137980 (1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...) Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50137980 (1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...) Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards Dopamine receptor D1 in rat tissue homogenate using [3H]-SCH- 23390 as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50137980 (1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...) Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50137980 (1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...) Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards M1 receptor of rat frontal cortex homogenate by using radioligand [3H]QNB				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair