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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)
LigandTarget/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
pHTemp
°C
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50030614
PNG
(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
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1.60n/an/an/an/an/an/an/an/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
PNG
(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
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1.60n/an/an/an/an/an/an/an/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
PNG
(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
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3.40n/an/an/an/an/an/an/an/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
PNG
(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
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21n/an/an/an/an/an/an/an/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
PNG
(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
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23n/an/an/an/an/an/an/an/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
PNG
(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
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23n/an/an/an/an/an/an/an/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
PNG
(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
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24n/an/an/an/an/an/an/an/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
PNG
(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
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25.1n/an/an/an/an/an/an/an/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
PNG
(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
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31.6n/an/an/an/an/an/an/an/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
PNG
(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
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36n/an/an/an/an/an/an/an/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
PNG
(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
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36n/an/an/an/an/an/an/an/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
PNG
(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
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50.1n/an/an/an/an/an/an/an/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
PNG
(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
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54.5n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 267: 1126-33 (1993)


Article DOI: 10.1002/cbic.201402673
BindingDB Entry DOI: 10.7270/Q28P5Z1X
More data for this
Ligand-Target Pair
ADRA1A


(PIG)
BDBM50030614
PNG
(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
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63.1n/an/an/an/an/an/an/an/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
PNG
(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
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251n/an/an/an/an/an/an/an/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