BDBM50030614 5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thia-8-aza-benzo[cd]azulene::CHEMBL25467::SK&F-104856::SK-104856::SKF 104856

SMILES: CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23

InChI Key: InChIKey=WKXSXFYQPCWZOS-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 = 50030614   

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))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description In vitro binding affinity at human Alpha-1D adrenergic receptor.				J Med Chem 46: 2877-94 (2003) Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	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))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	21	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description In vitro binding affinity at human Alpha-1B adrenergic receptor.				J Med Chem 46: 2877-94 (2003) Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	24	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
ADRA1B (PIG)	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by PDSP Ki Database									Eur J Pharmacol 347: 301-9 (1998) Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK
					More data for this Ligand-Target Pair
ADRA1B (PIG)	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by PDSP Ki Database									Eur J Pharmacol 347: 301-9 (1998) Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description In vitro binding affinity at human Alpha-1A adrenergic receptor.				J Med Chem 46: 2877-94 (2003) Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	36	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
ADRA1A (PIG)	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by PDSP Ki Database									Eur J Pharmacol 347: 301-9 (1998) Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK
					More data for this Ligand-Target Pair
adrenergic Alpha2 (PIG)	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	54.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 267: 1126-33 (1993) BindingDB Entry DOI: 10.7270/Q28P5Z1X
					More data for this Ligand-Target Pair
ADRA1A (PIG)	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by PDSP Ki Database									Eur J Pharmacol 347: 301-9 (1998) Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK
					More data for this Ligand-Target Pair
ADRA1A (PIG)	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by PDSP Ki Database									Eur J Pharmacol 347: 301-9 (1998) Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK
					More data for this Ligand-Target Pair