BDBM50027227 3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza-dibenzo[e,g]azulene::CHEMBL13645

SMILES: CN1CCN2C(C1)c1sccc1Cc1ccccc21

InChI Key: InChIKey=JUZQBDQBBNSXAF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50027227   

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 H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H]prazosin				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity [3H]5-HT from calf caudate nucleus				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair