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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'lang' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
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0.247n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor by Panlabs assay


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D (5HT1D)


(Mus musculus (Mouse))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.340n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
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0.515n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.590n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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0.791n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Experiment 2)


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D (5HT1D)


(Mus musculus (Mouse))
BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
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1n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Expe...


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D (5HT1D)


(Mus musculus (Mouse))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding (Experi...


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50035989
PNG
(1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50407329
PNG
(CHEMBL2112938)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4|
Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3
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1.80n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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2.20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Bos taurus)
BDBM50407331
PNG
(CHEMBL2112940)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4|
Show InChI InChI=1S/C13H20FN3S2/c1-17-8-5-6-11(10-17)12-13(16-19-15-12)18-9-4-2-3-7-14/h6H,2-5,7-10H2,1H3
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2.30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D (5HT1D)


(Mus musculus (Mouse))
BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D (5HT1D)


(Mus musculus (Mouse))
BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Expe...


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50035991
PNG
(1-Methyl-4-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCN(C)CC1 |t:12|
Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-10-17-13-12(14-18-15-13)11-6-8-16(2)9-7-11/h6H,3-5,7-10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50407331
PNG
(CHEMBL2112940)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4|
Show InChI InChI=1S/C13H20FN3S2/c1-17-8-5-6-11(10-17)12-13(16-19-15-12)18-9-4-2-3-7-14/h6H,2-5,7-10H2,1H3
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6.30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Bos taurus)
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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7.40n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035989
PNG
(1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3
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18.6n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig brai...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50407329
PNG
(CHEMBL2112938)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4|
Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3
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21.7n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig brai...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Bos taurus)
BDBM50035989
PNG
(1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3
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23n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Bos taurus)
BDBM50407329
PNG
(CHEMBL2112938)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4|
Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3
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25n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Bos taurus)
BDBM50035991
PNG
(1-Methyl-4-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCN(C)CC1 |t:12|
Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-10-17-13-12(14-18-15-13)11-6-8-16(2)9-7-11/h6H,3-5,7-10H2,1-2H3
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36n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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62.1n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig brai...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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80n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50407331
PNG
(CHEMBL2112940)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4|
Show InChI InChI=1S/C13H20FN3S2/c1-17-8-5-6-11(10-17)12-13(16-19-15-12)18-9-4-2-3-7-14/h6H,2-5,7-10H2,1H3
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160n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50035989
PNG
(1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3
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163n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035989
PNG
(1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3
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400n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Sigma receptor type 2 was determined by measuring its ability to displace [3H]-1,3-di-o-tolylguanidine from rat liv...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50035991
PNG
(1-Methyl-4-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCN(C)CC1 |t:12|
Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-10-17-13-12(14-18-15-13)11-6-8-16(2)9-7-11/h6H,3-5,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50407329
PNG
(CHEMBL2112938)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4|
Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004993
PNG
(CHEMBL386366 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)CC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C151H248N42O42S/c1-21-79(13)118(191-125(212)84(18)168-134(221)107(69-115(204)205)178-122(209)81(15)65-91(200)49-42-86-40-45-89(198)46-41-86)147(234)185-105(66-87-33-24-23-25-34-87)140(227)193-120(85(19)197)148(235)186-106(68-114(156)203)139(226)189-111(73-196)144(231)182-104(67-88-43-47-90(199)48-44-88)138(225)175-96(39-32-59-166-151(162)163)127(214)174-94(36-27-29-56-153)132(219)190-117(78(11)12)145(232)184-100(61-74(3)4)133(220)167-82(16)124(211)172-97(50-52-112(154)201)129(216)180-103(64-77(9)10)137(224)188-109(71-194)142(229)169-83(17)123(210)171-95(38-31-58-165-150(160)161)126(213)173-93(35-26-28-55-152)128(215)179-102(63-76(7)8)136(223)181-101(62-75(5)6)135(222)176-98(51-53-113(155)202)130(217)183-108(70-116(206)207)141(228)192-119(80(14)22-2)146(233)177-99(54-60-236-20)131(218)187-110(72-195)143(230)170-92(121(157)208)37-30-57-164-149(158)159/h23-25,33-34,40-41,43-48,74-85,92-111,117-120,194-199H,21-22,26-32,35-39,42,49-73,152-153H2,1-20H3,(H2,154,201)(H2,155,202)(H2,156,203)(H2,157,208)(H,167,220)(H,168,221)(H,169,229)(H,170,230)(H,171,210)(H,172,211)(H,173,213)(H,174,214)(H,175,225)(H,176,222)(H,177,233)(H,178,209)(H,179,215)(H,180,216)(H,181,223)(H,182,231)(H,183,217)(H,184,232)(H,185,234)(H,186,235)(H,187,218)(H,188,224)(H,189,226)(H,190,219)(H,191,212)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,158,159,164)(H4,160,161,165)(H4,162,163,166)/t79-,80-,81+,82-,83-,84-,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-,120-/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004979
PNG
(CHEMBL440262 | Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C149H245N43O43S/c1-20-77(13)116(190-121(209)81(17)167-131(219)104(66-113(203)204)177-120(208)79(15)166-122(210)88(152)62-84-39-43-86(197)44-40-84)144(232)184-102(63-83-32-23-22-24-33-83)137(225)192-118(82(18)196)145(233)185-103(65-111(155)201)136(224)188-108(71-195)141(229)181-101(64-85-41-45-87(198)46-42-85)135(223)173-92(37-30-55-163-148(158)159)125(213)172-90(35-26-28-53-151)130(218)189-115(76(11)12)142(230)183-97(58-72(3)4)123(211)165-68-112(202)169-93(47-49-109(153)199)127(215)179-100(61-75(9)10)134(222)187-106(69-193)139(227)168-80(16)119(207)170-91(36-29-54-162-147(156)157)124(212)171-89(34-25-27-52-150)126(214)178-99(60-74(7)8)133(221)180-98(59-73(5)6)132(220)174-94(48-50-110(154)200)128(216)182-105(67-114(205)206)138(226)191-117(78(14)21-2)143(231)175-95(51-57-236-19)129(217)186-107(70-194)140(228)176-96(146(234)235)38-31-56-164-149(160)161/h22-24,32-33,39-46,72-82,88-108,115-118,193-198H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,199)(H2,154,200)(H2,155,201)(H,165,211)(H,166,210)(H,167,219)(H,168,227)(H,169,202)(H,170,207)(H,171,212)(H,172,213)(H,173,223)(H,174,220)(H,175,231)(H,176,228)(H,177,208)(H,178,214)(H,179,215)(H,180,221)(H,181,229)(H,182,216)(H,183,230)(H,184,232)(H,185,233)(H,186,217)(H,187,222)(H,188,224)(H,189,218)(H,190,209)(H,191,226)(H,192,225)(H,203,204)(H,205,206)(H,234,235)(H4,156,157,162)(H4,158,159,163)(H4,160,161,164)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004976
PNG
(CHEMBL385308 | GRF-analogues)
Show InChI InChI=1S/C157H253N49O41S/c1-21-81(12)122(203-129(223)86(17)181-140(234)114(69-121(218)219)191-128(222)85(16)180-139(233)111(182-88(19)210)66-92-70-170-75-177-92)151(245)200-110(63-89-33-25-24-26-34-89)147(241)206-125(87(18)209)153(247)202-116(74-208)149(243)201-115(73-207)148(242)196-109(65-91-42-46-95(212)47-43-91)144(238)188-99(38-31-56-174-156(166)167)132(226)187-100(39-32-57-175-157(168)169)136(230)204-124(83(14)23-3)152(246)199-104(59-77(4)5)130(224)176-72-119(215)183-101(48-50-117(159)213)134(228)193-106(61-79(8)9)142(236)195-108(64-90-40-44-94(211)45-41-90)138(232)179-84(15)127(221)185-98(37-30-55-173-155(164)165)131(225)186-97(35-27-28-53-158)133(227)192-105(60-78(6)7)141(235)194-107(62-80(10)11)143(237)197-112(67-93-71-171-76-178-93)145(239)189-102(49-51-120(216)217)137(231)205-123(82(13)22-2)150(244)190-103(52-58-248-20)135(229)198-113(68-118(160)214)146(240)184-96(126(161)220)36-29-54-172-154(162)163/h24-26,33-34,40-47,70-71,75-87,96-116,122-125,207-209,211-212H,21-23,27-32,35-39,48-69,72-74,158H2,1-20H3,(H2,159,213)(H2,160,214)(H2,161,220)(H,170,177)(H,171,178)(H,176,224)(H,179,232)(H,180,233)(H,181,234)(H,182,210)(H,183,215)(H,184,240)(H,185,221)(H,186,225)(H,187,226)(H,188,238)(H,189,239)(H,190,244)(H,191,222)(H,192,227)(H,193,228)(H,194,235)(H,195,236)(H,196,242)(H,197,237)(H,198,229)(H,199,246)(H,200,245)(H,201,243)(H,202,247)(H,203,223)(H,204,230)(H,205,231)(H,206,241)(H,216,217)(H,218,219)(H4,162,163,172)(H4,164,165,173)(H4,166,167,174)(H4,168,169,175)/t81-,82-,83-,84-,85-,86-,87+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,122-,123-,124-,125-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299378
PNG
(CHEMBL575340 | N4-(2,3-dihydro-1H-inden-2-yl)-2-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-21-15-20(25-18-5-7-23-8-6-18)27-22(28-21)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004966
PNG
(CHEMBL428135 | Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C149H246N44O42S/c1-20-77(13)116(191-122(211)81(17)168-132(221)104(66-113(204)205)178-121(210)79(15)167-123(212)88(152)62-84-39-43-86(198)44-40-84)145(234)185-102(63-83-32-23-22-24-33-83)138(227)193-118(82(18)197)146(235)186-103(65-111(155)202)137(226)189-108(71-196)142(231)182-101(64-85-41-45-87(199)46-42-85)136(225)175-93(38-31-56-165-149(161)162)126(215)174-91(35-26-28-53-151)131(220)190-115(76(11)12)143(232)184-97(58-72(3)4)124(213)166-68-112(203)170-94(47-49-109(153)200)128(217)180-100(61-75(9)10)135(224)188-106(69-194)140(229)169-80(16)120(209)172-92(37-30-55-164-148(159)160)125(214)173-90(34-25-27-52-150)127(216)179-99(60-74(7)8)134(223)181-98(59-73(5)6)133(222)176-95(48-50-110(154)201)129(218)183-105(67-114(206)207)139(228)192-117(78(14)21-2)144(233)177-96(51-57-236-19)130(219)187-107(70-195)141(230)171-89(119(156)208)36-29-54-163-147(157)158/h22-24,32-33,39-46,72-82,88-108,115-118,194-199H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,166,213)(H,167,212)(H,168,221)(H,169,229)(H,170,203)(H,171,230)(H,172,209)(H,173,214)(H,174,215)(H,175,225)(H,176,222)(H,177,233)(H,178,210)(H,179,216)(H,180,217)(H,181,223)(H,182,231)(H,183,218)(H,184,232)(H,185,234)(H,186,235)(H,187,219)(H,188,224)(H,189,226)(H,190,220)(H,191,211)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,157,158,163)(H4,159,160,164)(H4,161,162,165)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299360
PNG
(CHEMBL575741 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-4-16-14-18(13-15(16)3-1)25-20-26-19(24-17-5-7-22-8-6-17)27-21(28-20)29-11-9-23-10-12-29/h1-8,18,23H,9-14H2,(H2,22,24,25,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004973
PNG
(CHEMBL216479 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C155H257N45O43S/c1-20-82(13)122(198-128(219)86(17)174-138(229)109(71-119(212)213)185-127(218)85(16)173-137(228)105(68-89-43-47-91(205)48-44-89)177-117(210)42-26-23-29-56-156)151(242)192-107(67-88-35-24-22-25-36-88)144(235)200-124(87(18)204)152(243)193-108(70-116(161)209)143(234)196-113(76-203)148(239)189-106(69-90-45-49-92(206)50-46-90)142(233)182-97(41-34-61-171-155(167)168)131(222)181-95(38-28-31-58-158)136(227)197-121(81(11)12)149(240)191-101(63-77(3)4)129(220)172-73-118(211)176-98(51-53-114(159)207)133(224)187-104(66-80(9)10)141(232)195-111(74-201)146(237)175-84(15)126(217)179-96(40-33-60-170-154(165)166)130(221)180-94(37-27-30-57-157)132(223)186-103(65-79(7)8)140(231)188-102(64-78(5)6)139(230)183-99(52-54-115(160)208)134(225)190-110(72-120(214)215)145(236)199-123(83(14)21-2)150(241)184-100(55-62-244-19)135(226)194-112(75-202)147(238)178-93(125(162)216)39-32-59-169-153(163)164/h22,24-25,35-36,43-50,77-87,93-113,121-124,201-206H,20-21,23,26-34,37-42,51-76,156-158H2,1-19H3,(H2,159,207)(H2,160,208)(H2,161,209)(H2,162,216)(H,172,220)(H,173,228)(H,174,229)(H,175,237)(H,176,211)(H,177,210)(H,178,238)(H,179,217)(H,180,221)(H,181,222)(H,182,233)(H,183,230)(H,184,241)(H,185,218)(H,186,223)(H,187,224)(H,188,231)(H,189,239)(H,190,225)(H,191,240)(H,192,242)(H,193,243)(H,194,226)(H,195,232)(H,196,234)(H,197,227)(H,198,219)(H,199,236)(H,200,235)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t82-,83-,84-,85-,86-,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,121-,122-,123-,124-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004970
PNG
(CHEMBL438545 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C146H241N43O40S/c1-20-76(13)114(187-120(206)80(17)165-130(216)103(66-111(199)200)175-119(205)78(15)164-121(207)87(149)62-83-39-43-85(193)44-40-83)142(228)182-101(63-82-32-23-22-24-33-82)136(222)189-116(81(18)192)143(229)183-102(65-109(152)197)135(221)185-106(70-191)139(225)179-100(64-84-41-45-86(194)46-42-84)134(220)172-92(38-31-56-162-146(158)159)124(210)171-90(35-26-28-53-148)129(215)186-113(75(11)12)140(226)181-96(58-71(3)4)122(208)163-68-110(198)167-93(47-49-107(150)195)126(212)177-99(61-74(9)10)133(219)184-105(69-190)138(224)166-79(16)118(204)169-91(37-30-55-161-145(156)157)123(209)170-89(34-25-27-52-147)125(211)176-98(60-73(7)8)132(218)178-97(59-72(5)6)131(217)173-94(48-50-108(151)196)127(213)180-104(67-112(201)202)137(223)188-115(77(14)21-2)141(227)174-95(51-57-230-19)128(214)168-88(117(153)203)36-29-54-160-144(154)155/h22-24,32-33,39-46,71-81,87-106,113-116,190-194H,20-21,25-31,34-38,47-70,147-149H2,1-19H3,(H2,150,195)(H2,151,196)(H2,152,197)(H2,153,203)(H,163,208)(H,164,207)(H,165,216)(H,166,224)(H,167,198)(H,168,214)(H,169,204)(H,170,209)(H,171,210)(H,172,220)(H,173,217)(H,174,227)(H,175,205)(H,176,211)(H,177,212)(H,178,218)(H,179,225)(H,180,213)(H,181,226)(H,182,228)(H,183,229)(H,184,219)(H,185,221)(H,186,215)(H,187,206)(H,188,223)(H,189,222)(H,199,200)(H,201,202)(H4,154,155,160)(H4,156,157,161)(H4,158,159,162)/t76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299374
PNG
((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...)
Show SMILES C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299366
PNG
(4-(2,3-dihydro-1H-inden-2-yloxy)-6-(piperazin-1-yl...)
Show SMILES C1C(Cc2ccccc12)Oc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N7O/c1-2-4-16-14-18(13-15(16)3-1)29-21-26-19(24-17-5-7-22-8-6-17)25-20(27-21)28-11-9-23-10-12-28/h1-8,18,23H,9-14H2,(H,22,24,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004969
PNG
(CHEMBL266658 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C144H237N43O41/c1-19-74(13)112(185-118(205)78(17)163-127(214)100(63-109(198)199)172-117(204)76(15)162-119(206)85(147)59-81-38-42-83(192)43-39-81)139(226)179-98(60-80-31-22-21-23-32-80)133(220)187-114(79(18)191)141(228)180-99(62-107(150)196)132(219)182-103(67-189)137(224)176-97(61-82-40-44-84(193)45-41-82)131(218)170-90(37-30-54-160-144(156)157)122(209)169-88(34-25-27-51-146)126(213)184-111(73(11)12)138(225)178-93(55-69(3)4)120(207)161-65-108(197)165-91(46-48-105(148)194)124(211)174-96(58-72(9)10)130(217)181-102(66-188)135(222)164-77(16)116(203)167-89(36-29-53-159-143(154)155)121(208)168-87(33-24-26-50-145)123(210)173-95(57-71(7)8)129(216)175-94(56-70(5)6)128(215)171-92(47-49-106(149)195)125(212)177-101(64-110(200)201)134(221)186-113(75(14)20-2)140(227)183-104(68-190)136(223)166-86(115(151)202)35-28-52-158-142(152)153/h21-23,31-32,38-45,69-79,85-104,111-114,188-193H,19-20,24-30,33-37,46-68,145-147H2,1-18H3,(H2,148,194)(H2,149,195)(H2,150,196)(H2,151,202)(H,161,207)(H,162,206)(H,163,214)(H,164,222)(H,165,197)(H,166,223)(H,167,203)(H,168,208)(H,169,209)(H,170,218)(H,171,215)(H,172,204)(H,173,210)(H,174,211)(H,175,216)(H,176,224)(H,177,212)(H,178,225)(H,179,226)(H,180,228)(H,181,217)(H,182,219)(H,183,227)(H,184,213)(H,185,205)(H,186,221)(H,187,220)(H,198,199)(H,200,201)(H4,152,153,158)(H4,154,155,159)(H4,156,157,160)/t74-,75-,76-,77-,78-,79+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,111-,112-,113-,114-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004989
PNG
(CHEMBL265167 | His-Ala-Asp-Ala-Ile-Phe-Thr-Ser-Ser...)
Show InChI InChI=1S/C155H251N49O40S/c1-20-80(12)120(201-127(220)85(17)180-138(231)112(68-119(215)216)189-126(219)83(15)178-128(221)94(157)65-90-69-169-74-176-90)149(242)198-109(62-87-32-24-23-25-33-87)145(238)204-123(86(18)207)151(244)200-114(73-206)147(240)199-113(72-205)146(239)194-108(64-89-41-45-93(209)46-42-89)142(235)186-98(37-30-55-173-154(165)166)131(224)185-99(38-31-56-174-155(167)168)135(228)202-122(82(14)22-3)150(243)197-103(58-76(4)5)129(222)175-71-117(212)181-100(47-49-115(158)210)133(226)191-105(60-78(8)9)140(233)193-107(63-88-39-43-92(208)44-40-88)137(230)179-84(16)125(218)183-97(36-29-54-172-153(163)164)130(223)184-96(34-26-27-52-156)132(225)190-104(59-77(6)7)139(232)192-106(61-79(10)11)141(234)195-110(66-91-70-170-75-177-91)143(236)187-101(48-50-118(213)214)136(229)203-121(81(13)21-2)148(241)188-102(51-57-245-19)134(227)196-111(67-116(159)211)144(237)182-95(124(160)217)35-28-53-171-152(161)162/h23-25,32-33,39-46,69-70,74-86,94-114,120-123,205-209H,20-22,26-31,34-38,47-68,71-73,156-157H2,1-19H3,(H2,158,210)(H2,159,211)(H2,160,217)(H,169,176)(H,170,177)(H,175,222)(H,178,221)(H,179,230)(H,180,231)(H,181,212)(H,182,237)(H,183,218)(H,184,223)(H,185,224)(H,186,235)(H,187,236)(H,188,241)(H,189,219)(H,190,225)(H,191,226)(H,192,232)(H,193,233)(H,194,239)(H,195,234)(H,196,227)(H,197,243)(H,198,242)(H,199,240)(H,200,244)(H,201,220)(H,202,228)(H,203,229)(H,204,238)(H,213,214)(H,215,216)(H4,161,162,171)(H4,163,164,172)(H4,165,166,173)(H4,167,168,174)/t80-,81-,82-,83-,84-,85-,86+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,120-,121-,122-,123-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299372
PNG
(6-(1,4-diazepan-1-yl)-N2-(2,3-dihydro-1H-inden-2-y...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1
Show InChI InChI=1S/C22H26N8/c1-2-5-17-15-19(14-16(17)4-1)26-21-27-20(25-18-6-9-24-10-7-18)28-22(29-21)30-12-3-8-23-11-13-30/h1-2,4-7,9-10,19,23H,3,8,11-15H2,(H2,24,25,26,27,28,29)
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n/an/a 11n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299378
PNG
(CHEMBL575340 | N4-(2,3-dihydro-1H-inden-2-yl)-2-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-21-15-20(25-18-5-7-23-8-6-18)27-22(28-21)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004978
PNG
(CHEMBL262750 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C153H253N45O43S/c1-20-80(13)120(196-126(217)84(17)172-136(227)107(69-117(210)211)183-125(216)83(16)171-135(226)103(175-115(208)40-29-56-156)66-87-41-45-89(203)46-42-87)149(240)190-105(65-86-33-23-22-24-34-86)142(233)198-122(85(18)202)150(241)191-106(68-114(159)207)141(232)194-111(74-201)146(237)187-104(67-88-43-47-90(204)48-44-88)140(231)180-95(39-32-59-169-153(165)166)129(220)179-93(36-26-28-55-155)134(225)195-119(79(11)12)147(238)189-99(61-75(3)4)127(218)170-71-116(209)174-96(49-51-112(157)205)131(222)185-102(64-78(9)10)139(230)193-109(72-199)144(235)173-82(15)124(215)177-94(38-31-58-168-152(163)164)128(219)178-92(35-25-27-54-154)130(221)184-101(63-77(7)8)138(229)186-100(62-76(5)6)137(228)181-97(50-52-113(158)206)132(223)188-108(70-118(212)213)143(234)197-121(81(14)21-2)148(239)182-98(53-60-242-19)133(224)192-110(73-200)145(236)176-91(123(160)214)37-30-57-167-151(161)162/h22-24,33-34,41-48,75-85,91-111,119-122,199-204H,20-21,25-32,35-40,49-74,154-156H2,1-19H3,(H2,157,205)(H2,158,206)(H2,159,207)(H2,160,214)(H,170,218)(H,171,226)(H,172,227)(H,173,235)(H,174,209)(H,175,208)(H,176,236)(H,177,215)(H,178,219)(H,179,220)(H,180,231)(H,181,228)(H,182,239)(H,183,216)(H,184,221)(H,185,222)(H,186,229)(H,187,237)(H,188,223)(H,189,238)(H,190,240)(H,191,241)(H,192,224)(H,193,230)(H,194,232)(H,195,225)(H,196,217)(H,197,234)(H,198,233)(H,210,211)(H,212,213)(H4,161,162,167)(H4,163,164,168)(H4,165,166,169)/t80-,81-,82-,83-,84-,85+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,119-,120-,121-,122-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299379
PNG
(CHEMBL578643 | N4-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)25-20-15-21(29-11-9-24-10-12-29)28-22(27-20)26-18-5-7-23-8-6-18/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
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n/an/a 14n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299372
PNG
(6-(1,4-diazepan-1-yl)-N2-(2,3-dihydro-1H-inden-2-y...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1
Show InChI InChI=1S/C22H26N8/c1-2-5-17-15-19(14-16(17)4-1)26-21-27-20(25-18-6-9-24-10-7-18)28-22(29-21)30-12-3-8-23-11-13-30/h1-2,4-7,9-10,19,23H,3,8,11-15H2,(H2,24,25,26,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004992
PNG
(CHEMBL427794 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C145H241N43O39S/c1-20-76(13)113(186-119(204)80(17)164-129(214)103(66-111(199)200)174-118(203)78(15)163-120(205)87(148)62-83-39-43-85(193)44-40-83)141(226)180-101(63-82-32-23-22-24-33-82)135(220)188-115(81(18)192)142(227)181-102(65-109(151)197)134(219)184-106(70-191)138(223)178-100(64-84-41-45-86(194)46-42-84)133(218)171-92(38-31-56-161-145(157)158)123(208)170-90(35-26-28-53-147)127(212)185-112(75(11)12)139(224)179-96(58-71(3)4)121(206)162-67-110(198)166-93(47-49-107(149)195)125(210)176-99(61-74(9)10)132(217)183-104(68-189)136(221)165-79(16)117(202)168-91(37-30-55-160-144(155)156)122(207)169-89(34-25-27-52-146)124(209)175-98(60-73(7)8)131(216)177-97(59-72(5)6)130(215)172-94(48-50-108(150)196)128(213)187-114(77(14)21-2)140(225)173-95(51-57-228-19)126(211)182-105(69-190)137(222)167-88(116(152)201)36-29-54-159-143(153)154/h22-24,32-33,39-46,71-81,87-106,112-115,189-194H,20-21,25-31,34-38,47-70,146-148H2,1-19H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,201)(H,162,206)(H,163,205)(H,164,214)(H,165,221)(H,166,198)(H,167,222)(H,168,202)(H,169,207)(H,170,208)(H,171,218)(H,172,215)(H,173,225)(H,174,203)(H,175,209)(H,176,210)(H,177,216)(H,178,223)(H,179,224)(H,180,226)(H,181,227)(H,182,211)(H,183,217)(H,184,219)(H,185,212)(H,186,204)(H,187,213)(H,188,220)(H,199,200)(H4,153,154,159)(H4,155,156,160)(H4,157,158,161)/t76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,112-,113-,114-,115-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004974
PNG
(Ac-Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C151H248N44O43S/c1-21-78(13)118(193-124(214)82(17)169-134(224)106(67-115(207)208)180-123(213)81(16)168-133(223)102(171-84(19)200)64-86-40-44-88(201)45-41-86)147(237)187-104(63-85-33-24-23-25-34-85)140(230)195-120(83(18)199)148(238)188-105(66-113(156)205)139(229)191-110(72-198)144(234)184-103(65-87-42-46-89(202)47-43-87)138(228)177-94(39-32-57-166-151(162)163)127(217)176-92(36-27-29-54-153)132(222)192-117(77(11)12)145(235)186-98(59-73(3)4)125(215)167-69-114(206)172-95(48-50-111(154)203)129(219)182-101(62-76(9)10)137(227)190-108(70-196)142(232)170-80(15)122(212)174-93(38-31-56-165-150(160)161)126(216)175-91(35-26-28-53-152)128(218)181-100(61-75(7)8)136(226)183-99(60-74(5)6)135(225)178-96(49-51-112(155)204)130(220)185-107(68-116(209)210)141(231)194-119(79(14)22-2)146(236)179-97(52-58-239-20)131(221)189-109(71-197)143(233)173-90(121(157)211)37-30-55-164-149(158)159/h23-25,33-34,40-47,73-83,90-110,117-120,196-199,201-202H,21-22,26-32,35-39,48-72,152-153H2,1-20H3,(H2,154,203)(H2,155,204)(H2,156,205)(H2,157,211)(H,167,215)(H,168,223)(H,169,224)(H,170,232)(H,171,200)(H,172,206)(H,173,233)(H,174,212)(H,175,216)(H,176,217)(H,177,228)(H,178,225)(H,179,236)(H,180,213)(H,181,218)(H,182,219)(H,183,226)(H,184,234)(H,185,220)(H,186,235)(H,187,237)(H,188,238)(H,189,221)(H,190,227)(H,191,229)(H,192,222)(H,193,214)(H,194,231)(H,195,230)(H,207,208)(H,209,210)(H4,158,159,164)(H4,160,161,165)(H4,162,163,166)/t78-,79-,80-,81-,82-,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,117-,118-,119-,120-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50258769
PNG
(CHEMBL4096928)
PDB

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n/an/a 18n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL




J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
More data for this
Ligand-Target Pair
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