BDBM50137976 9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene::CHEMBL367045

SMILES: CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12

InChI Key: InChIKey=JFLBTRDHDHTNGX-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 50137976   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-ketanserin binding to rat 5-hydroxytryptamine 2A receptor				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 human 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)	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-7-OH-DPAT binding to Dopamine D3 receptor expressed in Sf9 cells				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	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 human 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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone binding to rat dopamine D2 receptor				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to rat dopamine D1 receptor				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.02E+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 alpha-2 adrenergic receptor in rat frontal cortex homogenate using of [3H]clonidine 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)	BDBM50137976 (9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.07E+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