BDBM50030615 5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thia-8-aza-benzo[cd]azulene::CHEMBL123448::SK&F-106686::SK-106686

SMILES: CCc1sc2ccc(Cl)c3CCN(C)Cc1c23

InChI Key: InChIKey=BAAUEDJUTZLMAN-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50030615   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50030615 (5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CCc1sc2ccc(Cl)c3CCN(C)Cc1c23 Show InChI InChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50030615 (5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CCc1sc2ccc(Cl)c3CCN(C)Cc1c23 Show InChI InChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50030615 (5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CCc1sc2ccc(Cl)c3CCN(C)Cc1c23 Show InChI InChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50030615 (5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CCc1sc2ccc(Cl)c3CCN(C)Cc1c23 Show InChI InChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50030615 (5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CCc1sc2ccc(Cl)c3CCN(C)Cc1c23 Show InChI InChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50030615 (5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CCc1sc2ccc(Cl)c3CCN(C)Cc1c23 Show InChI InChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair