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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'cassidy' and Initial = 'f'   
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
Renin


(Homo sapiens (Human))
BDBM50282598
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2cnccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C42H58N8O6S/c1-29(2)22-33(41(55)47-32(23-30-10-5-3-6-11-30)36(51)25-39(53)45-16-9-19-49-21-18-44-28-49)48-42(56)34(24-31-12-7-4-8-13-31)46-38(52)15-20-50-35-14-17-43-26-37(35)57-27-40(50)54/h4,7-8,12-14,17-18,21,26,28-30,32-34,36,51H,3,5-6,9-11,15-16,19-20,22-25,27H2,1-2H3,(H,45,53)(H,46,52)(H,47,55)(H,48,56)/t32-,33-,34-,36-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282605
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C42H58N8O6S/c1-29(2)22-33(41(55)47-32(23-30-10-5-3-6-11-30)36(51)25-39(53)45-16-9-19-49-21-18-44-28-49)48-42(56)34(24-31-12-7-4-8-13-31)46-38(52)15-20-50-35-26-43-17-14-37(35)57-27-40(50)54/h4,7-8,12-14,17-18,21,26,28-30,32-34,36,51H,3,5-6,9-11,15-16,19-20,22-25,27H2,1-2H3,(H,45,53)(H,46,52)(H,47,55)(H,48,56)/t32-,33-,34-,36-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282602
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ncccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C42H58N8O6S/c1-29(2)23-33(40(55)47-32(24-30-11-5-3-6-12-30)36(51)26-38(53)44-18-10-20-49-22-19-43-28-49)48-41(56)34(25-31-13-7-4-8-14-31)46-37(52)16-21-50-35-15-9-17-45-42(35)57-27-39(50)54/h4,7-9,13-15,17,19,22,28-30,32-34,36,51H,3,5-6,10-12,16,18,20-21,23-27H2,1-2H3,(H,44,53)(H,46,52)(H,47,55)(H,48,56)/t32-,33-,34-,36-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282606
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CS(=O)(=O)c2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C42H58N8O8S/c1-29(2)22-33(41(55)47-32(23-30-10-5-3-6-11-30)36(51)25-39(53)45-16-9-19-49-21-18-44-28-49)48-42(56)34(24-31-12-7-4-8-13-31)46-38(52)15-20-50-35-26-43-17-14-37(35)59(57,58)27-40(50)54/h4,7-8,12-14,17-18,21,26,28-30,32-34,36,51H,3,5-6,9-11,15-16,19-20,22-25,27H2,1-2H3,(H,45,53)(H,46,52)(H,47,55)(H,48,56)/t32-,33-,34-,36-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282607
PNG
((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...)
Show SMILES CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C41H60N4O7S/c1-27(2)19-20-42-38(47)25-36(46)33(22-29-13-7-5-8-14-29)44-40(49)34(21-28(3)4)45-41(50)35(23-30-15-9-6-10-16-30)43-39(48)24-31-26-53(51,52)37-18-12-11-17-32(31)37/h6,9-12,15-18,27-29,31,33-36,46H,5,7-8,13-14,19-26H2,1-4H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t31?,33-,34-,35-,36-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282603
PNG
((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C42H58N6O7S/c1-29(2)22-35(41(52)46-34(23-30-12-5-3-6-13-30)37(49)26-39(50)44-18-11-20-48-21-19-43-28-48)47-42(53)36(24-31-14-7-4-8-15-31)45-40(51)25-32-27-56(54,55)38-17-10-9-16-33(32)38/h4,7-10,14-17,19,21,28-30,32,34-37,49H,3,5-6,11-13,18,20,22-27H2,1-2H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53)/t32?,34-,35-,36-,37-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/a 13n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229526
PNG
(CHEMBL279356)
Show SMILES Cc1noc(n1)C1CN2CCC1CC2 |(5.41,-5.22,;4.1,-6,;4.34,-7.52,;2.94,-8.22,;1.87,-7.15,;2.56,-5.75,;.54,-7.93,;.54,-9.47,;-.8,-10.25,;-2.11,-9.47,;-2.11,-7.93,;-.8,-7.16,;-1.21,-8.65,;-.19,-8.97,)|
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n/an/a 14n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282597
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)CSc2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C43H60N8O6S/c1-30(2)23-34(42(56)48-33(24-31-11-5-3-6-12-31)37(52)26-40(54)46-17-10-20-50-22-19-45-29-50)49-43(57)35(25-32-13-7-4-8-14-32)47-39(53)15-9-21-51-36-27-44-18-16-38(36)58-28-41(51)55/h4,7-8,13-14,16,18-19,22,27,29-31,33-35,37,52H,3,5-6,9-12,15,17,20-21,23-26,28H2,1-2H3,(H,46,54)(H,47,53)(H,48,56)(H,49,57)/t33-,34-,35-,37-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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n/an/a 17n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50283786
PNG
(CHEMBL328917 | {(R)-3-(6-Bromo-1,3-dioxo-1H,3H-ben...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23)P(O)(O)=O
Show InChI InChI=1S/C31H36BrN4O7P/c1-18(2)16-24(29(38)35-25(28(37)33-3)17-19-8-5-4-6-9-19)34-26(44(41,42)43)14-15-36-30(39)21-11-7-10-20-23(32)13-12-22(27(20)21)31(36)40/h4-13,18,24-26,34H,14-17H2,1-3H3,(H,33,37)(H,35,38)(H2,41,42,43)/t24-,25-,26+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282601
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)COc2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C42H58N8O7/c1-29(2)22-33(41(55)47-32(23-30-10-5-3-6-11-30)36(51)25-39(53)45-16-9-19-49-21-18-44-28-49)48-42(56)34(24-31-12-7-4-8-13-31)46-38(52)15-20-50-35-26-43-17-14-37(35)57-27-40(50)54/h4,7-8,12-14,17-18,21,26,28-30,32-34,36,51H,3,5-6,9-11,15-16,19-20,22-25,27H2,1-2H3,(H,45,53)(H,46,52)(H,47,55)(H,48,56)/t32-,33-,34-,36-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50061707
PNG
((1-Aza-bicyclo[3.2.1]oct-5-yl)-[(Z)-methoxyimino]-...)
Show SMILES CO\N=C(/C#N)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/b12-9+
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n/an/a 28n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB)radioligand in human cloned Muscarinic acetylcholine receptor M3


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229691
PNG
(CHEMBL23118)
Show SMILES Cc1nnn(n1)C1CN2CCC1CC2 |(18.11,-12.96,;17.7,-14.41,;18.77,-15.8,;17.57,-17.13,;16.17,-16.52,;16.34,-14.95,;14.82,-17.27,;14.82,-18.82,;13.48,-19.48,;12.16,-18.82,;12.16,-17.27,;13.46,-16.5,;13.87,-17.98,;12.85,-18.33,)|
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n/an/a 30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50283785
PNG
(CHEMBL98233 | {(R)-3-(1,3-Dioxo-1H,3H-benzo[de]iso...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2cccc3cccc(C1=O)c23)P(O)(O)=O
Show InChI InChI=1S/C31H37N4O7P/c1-19(2)17-24(29(37)34-25(28(36)32-3)18-20-9-5-4-6-10-20)33-26(43(40,41)42)15-16-35-30(38)22-13-7-11-21-12-8-14-23(27(21)22)31(35)39/h4-14,19,24-26,33H,15-18H2,1-3H3,(H,32,36)(H,34,37)(H2,40,41,42)/t24-,25-,26+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061707
PNG
((1-Aza-bicyclo[3.2.1]oct-5-yl)-[(Z)-methoxyimino]-...)
Show SMILES CO\N=C(/C#N)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/b12-9+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidinyl benzilate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282604
PNG
((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCc1cccnc1
Show InChI InChI=1S/C44H59N5O7S/c1-30(2)23-37(43(53)48-36(24-31-13-5-3-6-14-31)39(50)27-41(51)46-22-12-18-33-17-11-21-45-28-33)49-44(54)38(25-32-15-7-4-8-16-32)47-42(52)26-34-29-57(55,56)40-20-10-9-19-35(34)40/h4,7-11,15-17,19-21,28,30-31,34,36-39,50H,3,5-6,12-14,18,22-27,29H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t34?,36-,37-,38-,39-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282599
PNG
((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCCn1ccnc1
Show InChI InChI=1S/C43H60N6O7S/c1-30(2)23-36(42(53)47-35(24-31-13-5-3-6-14-31)38(50)27-40(51)45-19-11-12-21-49-22-20-44-29-49)48-43(54)37(25-32-15-7-4-8-16-32)46-41(52)26-33-28-57(55,56)39-18-10-9-17-34(33)39/h4,7-10,15-18,20,22,29-31,33,35-38,50H,3,5-6,11-14,19,21,23-28H2,1-2H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33?,35-,36-,37-,38-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282610
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CSc2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C41H56N8O6S/c1-28(2)20-32(40(54)46-31(21-29-10-5-3-6-11-29)35(50)23-37(51)44-15-9-18-48-19-17-43-27-48)47-41(55)33(22-30-12-7-4-8-13-30)45-38(52)25-49-34-24-42-16-14-36(34)56-26-39(49)53/h4,7-8,12-14,16-17,19,24,27-29,31-33,35,50H,3,5-6,9-11,15,18,20-23,25-26H2,1-2H3,(H,44,51)(H,45,52)(H,46,54)(H,47,55)/t31-,32-,33-,35-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282600
PNG
((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCn1ccnc1
Show InChI InChI=1S/C41H56N6O7S/c1-28(2)21-34(40(51)45-33(22-29-11-5-3-6-12-29)36(48)25-38(49)43-18-20-47-19-17-42-27-47)46-41(52)35(23-30-13-7-4-8-14-30)44-39(50)24-31-26-55(53,54)37-16-10-9-15-32(31)37/h4,7-10,13-17,19,27-29,31,33-36,48H,3,5-6,11-12,18,20-26H2,1-2H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31?,33-,34-,35-,36-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229697
PNG
(CHEMBL23721)
Show SMILES Cn1ncc(n1)C1CN2CCC1CC2 |(18.33,-12.98,;17.57,-14.14,;18.65,-15.55,;17.46,-16.88,;16.04,-16.24,;16.2,-14.7,;14.7,-17.02,;14.7,-18.55,;13.34,-19.21,;12.03,-18.55,;12.03,-17.02,;13.35,-16.24,;13.75,-17.74,;12.73,-18.07,)|
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50061707
PNG
((1-Aza-bicyclo[3.2.1]oct-5-yl)-[(Z)-methoxyimino]-...)
Show SMILES CO\N=C(/C#N)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/b12-9+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, usingquinuclidynyl benzylate (QNB) radioligand in human cloned Muscarinic acetylcholine receptor M4


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282596
PNG
(4-[(3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-di...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCC(O)=O
Show InChI InChI=1S/C40H56N4O9S/c1-26(2)20-32(39(50)43-31(21-27-12-5-3-6-13-27)34(45)24-36(46)41-19-11-18-38(48)49)44-40(51)33(22-28-14-7-4-8-15-28)42-37(47)23-29-25-54(52,53)35-17-10-9-16-30(29)35/h4,7-10,14-17,26-27,29,31-34,45H,3,5-6,11-13,18-25H2,1-2H3,(H,41,46)(H,42,47)(H,43,50)(H,44,51)(H,48,49)/t29?,31-,32-,33-,34-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229618
PNG
(CHEMBL23335)
Show SMILES Cc1ncn(n1)C1CN2CCC1CC2 |(17.8,-12.62,;17.41,-14.06,;18.48,-15.44,;17.28,-16.78,;15.88,-16.13,;16.04,-14.6,;14.52,-16.91,;14.52,-18.45,;13.19,-19.11,;11.88,-18.45,;11.88,-16.91,;13.19,-16.13,;13.59,-17.62,;12.57,-17.96,)|
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282609
PNG
((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCN(C)C
Show InChI InChI=1S/C41H61N5O7S/c1-28(2)22-34(40(50)44-33(23-29-14-7-5-8-15-29)36(47)26-38(48)42-20-13-21-46(3)4)45-41(51)35(24-30-16-9-6-10-17-30)43-39(49)25-31-27-54(52,53)37-19-12-11-18-32(31)37/h6,9-12,16-19,28-29,31,33-36,47H,5,7-8,13-15,20-27H2,1-4H3,(H,42,48)(H,43,49)(H,44,50)(H,45,51)/t31?,33-,34-,35-,36-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50061707
PNG
((1-Aza-bicyclo[3.2.1]oct-5-yl)-[(Z)-methoxyimino]-...)
Show SMILES CO\N=C(/C#N)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/b12-9+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB)


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229688
PNG
(CHEMBL276975)
Show SMILES Cn1nnc(n1)C1CN2CCC1CC2 |(18.04,-12.91,;17.63,-14.36,;18.7,-15.74,;17.5,-17.06,;16.11,-16.45,;16.28,-14.89,;14.77,-17.21,;14.77,-18.75,;13.43,-19.41,;12.11,-18.75,;12.11,-17.21,;13.41,-16.43,;13.82,-17.91,;12.8,-18.26,)|
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50283783
PNG
(CHEMBL330729 | {(S)-3-(1,3-Dioxo-1H,3H-benzo[de]is...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3cccc(C1=O)c23)P(O)(O)=O
Show InChI InChI=1S/C31H37N4O7P/c1-19(2)17-24(29(37)34-25(28(36)32-3)18-20-9-5-4-6-10-20)33-26(43(40,41)42)15-16-35-30(38)22-13-7-11-21-12-8-14-23(27(21)22)31(35)39/h4-14,19,24-26,33H,15-18H2,1-3H3,(H,32,36)(H,34,37)(H2,40,41,42)/t24-,25-,26-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB)


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282608
PNG
((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H61N5O8S/c1-29(2)23-35(41(51)45-34(24-30-11-5-3-6-12-30)37(48)27-39(49)43-17-18-47-19-21-55-22-20-47)46-42(52)36(25-31-13-7-4-8-14-31)44-40(50)26-32-28-56(53,54)38-16-10-9-15-33(32)38/h4,7-10,13-16,29-30,32,34-37,48H,3,5-6,11-12,17-28H2,1-2H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t32?,34-,35-,36-,37-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230645
PNG
(CHEMBL434772)
Show SMILES Cc1cnn(n1)C1CN2CCC1CC2 |(18.13,-12.97,;17.74,-14.43,;18.81,-15.82,;17.59,-17.15,;16.19,-16.54,;16.36,-14.97,;14.84,-17.3,;14.84,-18.84,;13.5,-19.51,;12.17,-18.84,;12.17,-17.3,;13.5,-16.52,;13.89,-18,;12.87,-18.35,)|
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50283779
PNG
(CHEMBL96018 | {(R)-3-(1,3-Dioxo-1,3-dihydro-isoind...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2ccccc2C1=O)P(O)(O)=O
Show InChI InChI=1S/C27H35N4O7P/c1-17(2)15-21(25(33)30-22(24(32)28-3)16-18-9-5-4-6-10-18)29-23(39(36,37)38)13-14-31-26(34)19-11-7-8-12-20(19)27(31)35/h4-12,17,21-23,29H,13-16H2,1-3H3,(H,28,32)(H,30,33)(H2,36,37,38)/t21-,22-,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061702
PNG
((1R,3R,4R)-1-Aza-bicyclo[2.2.1]heptane-3-carbaldeh...)
Show SMILES CO\N=C\[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C8H14N2O/c1-11-9-4-8-6-10-3-2-7(8)5-10/h4,7-8H,2-3,5-6H2,1H3/b9-4+/t7-,8-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043745
PNG
(CHEMBL47907 | {(R)-1-[(S)-3-Methyl-1-((S)-1-methyl...)
Show SMILES CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC)P(O)(O)=O
Show InChI InChI=1S/C19H32N3O5P/c1-5-17(28(25,26)27)21-15(11-13(2)3)19(24)22-16(18(23)20-4)12-14-9-7-6-8-10-14/h6-10,13,15-17,21H,5,11-12H2,1-4H3,(H,20,23)(H,22,24)(H2,25,26,27)/t15-,16-,17+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229667
PNG
(CHEMBL23563)
Show SMILES C1CN2CCC1C(C2)n1ncnn1 |(12.18,-16.59,;12.18,-18.13,;13.51,-18.81,;12.88,-17.66,;13.9,-17.31,;13.49,-15.8,;14.85,-16.59,;14.85,-18.13,;16.2,-15.82,;16.37,-14.27,;17.73,-13.71,;18.81,-15.11,;17.61,-16.47,)|
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043755
PNG
(CHEMBL416095 | {(S)-1-[(S)-3-Methyl-1-((S)-1-methy...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC)P(O)(O)=O
Show InChI InChI=1S/C19H32N3O5P/c1-5-17(28(25,26)27)21-15(11-13(2)3)19(24)22-16(18(23)20-4)12-14-9-7-6-8-10-14/h6-10,13,15-17,21H,5,11-12H2,1-4H3,(H,20,23)(H,22,24)(H2,25,26,27)/t15-,16-,17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50283779
PNG
(CHEMBL96018 | {(R)-3-(1,3-Dioxo-1,3-dihydro-isoind...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2ccccc2C1=O)P(O)(O)=O
Show InChI InChI=1S/C27H35N4O7P/c1-17(2)15-21(25(33)30-22(24(32)28-3)16-18-9-5-4-6-10-18)29-23(39(36,37)38)13-14-31-26(34)19-11-7-8-12-20(19)27(31)35/h4-12,17,21-23,29H,13-16H2,1-3H3,(H,28,32)(H,30,33)(H2,36,37,38)/t21-,22-,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50061719
PNG
((1R,3R,4R)-1-Aza-bicyclo[2.2.1]hept-3-yl-[(Z)-meth...)
Show SMILES CO\N=C(/C#N)[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-9(4-10)8-6-12-3-2-7(8)5-12/h7-8H,2-3,5-6H2,1H3/b11-9+/t7-,8-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043750
PNG
(CHEMBL45577 | {(R)-1-[(S)-3-Methyl-1-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C25H36N3O5P/c1-18(2)16-21(27-23(34(31,32)33)15-14-19-10-6-4-7-11-19)25(30)28-22(24(29)26-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,27H,14-17H2,1-3H3,(H,26,29)(H,28,30)(H2,31,32,33)/t21-,22-,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230639
PNG
(CHEMBL23172)
Show SMILES C1CN2CCC1C(C2)n1cncn1 |(-.97,-5.52,;-.97,-7.06,;.35,-7.74,;-.27,-6.59,;.76,-6.24,;.35,-4.74,;1.7,-5.52,;1.7,-7.06,;3.06,-4.76,;4.47,-5.38,;5.68,-4.04,;4.6,-2.65,;3.23,-3.19,)|
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
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