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45 molecules are shown

Compile data set for download or QSAR
Wt: 319.3
BDBM50230658
Wt: 258.3
BDBM50230659
Wt: 311.4
BDBM50230660
Wt: 491.6
BDBM50230665
Wt: 515.6
BDBM50230668
Wt: 543.6
BDBM50230670
Wt: 499.6
BDBM50230671
Wt: 464.5
BDBM50230703
Wt: 462.6
BDBM50230692
Wt: 434.5
BDBM50230695
Wt: 590.7
BDBM50230666
Wt: 461.5
BDBM50230669
Wt: 602.7
BDBM50230672
Wt: 612.7
BDBM50230677
Wt: 600.7
BDBM50230685
<<  First   |  Previous   |  Displayed 16 to 30 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50230658,50230659,50230660,50230665,50230668,50230670,50230671,50230703,50230692,50230695,50230666,50230669,50230672,50230677,50230685   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(MOUSE)
BDBM50230677
PNG
(CHEMBL3351022)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1
Show InChI InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1
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0.513n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50230695
PNG
(CHEMBL43258)
Show SMILES CN(C)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C26H34N4O2/c1-28(2)16-8-7-9-20-14-17-29(18-15-20)19-25(31)30-23-12-5-3-10-21(23)26(32)27-22-11-4-6-13-24(22)30/h3-6,10-13,20H,7-9,14-19H2,1-2H3,(H,27,32)
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3.70n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M2 receptor of rat heart


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230665
PNG
(CHEMBL3350395)
Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20-,23+,26-,29-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50230695
PNG
(CHEMBL43258)
Show SMILES CN(C)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C26H34N4O2/c1-28(2)16-8-7-9-20-14-17-29(18-15-20)19-25(31)30-23-12-5-3-10-21(23)26(32)27-22-11-4-6-13-24(22)30/h3-6,10-13,20H,7-9,14-19H2,1-2H3,(H,27,32)
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11n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to A9 L cells transfected with muscarinic M1 receptor of rat brain


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230666
PNG
(CHEMBL3351025)
Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H42N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,20,22,25,28,34H,6,9-10,15-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25+,28-,33-/m1/s1
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12n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230665
PNG
(CHEMBL3350395)
Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20-,23+,26-,29-/m1/s1
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15n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50230692
PNG
(CHEMBL296938)
Show SMILES CCCN(CCC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C28H38N4O2/c1-3-17-30(18-4-2)20-16-22-11-9-10-19-31(22)21-27(33)32-25-14-7-5-12-23(25)28(34)29-24-13-6-8-15-26(24)32/h5-8,12-15,22H,3-4,9-11,16-21H2,1-2H3,(H,29,34)
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34n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M2 receptor of rat heart


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230671
PNG
(CHEMBL282056)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1
Show InChI InChI=1/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)
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46n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50230692
PNG
(CHEMBL296938)
Show SMILES CCCN(CCC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C28H38N4O2/c1-3-17-30(18-4-2)20-16-22-11-9-10-19-31(22)21-27(33)32-25-14-7-5-12-23(25)28(34)29-24-13-6-8-15-26(24)32/h5-8,12-15,22H,3-4,9-11,16-21H2,1-2H3,(H,29,34)
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57n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M1 receptor of rat brain


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230670
PNG
(CHEMBL3350394)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C32H37N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,28,30,33H,10-17H2,(H,34,38)(H,35,39)(H,36,37)/t20?,21?,22?,23?,25-,28+,30?/m1/s1
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93n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230669
PNG
(CHEMBL3351012)
Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1/C28H35N3O3/c1-20-10-6-9-15-25(20)34-27(33)31-28(2,18-22-19-30-24-14-8-7-13-23(22)24)26(32)29-17-16-21-11-4-3-5-12-21/h3-5,7-8,11-14,19-20,25,30H,6,9-10,15-18H2,1-2H3,(H,29,32)(H,31,33)/t20-,25-,28?/s2
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135n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230672
PNG
(CHEMBL3351020)
Show SMILES CC1(C)C2CCC1(C)[C@H](C2)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C34H42N4O6/c1-33(2)23-15-16-34(33,3)28(18-23)44-32(43)38-26(17-22-19-35-25-12-8-7-11-24(22)25)31(42)36-20-27(21-9-5-4-6-10-21)37-29(39)13-14-30(40)41/h4-12,19,23,26-28,35H,13-18,20H2,1-3H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41)/t23?,26-,27+,28+,34?/m1/s1
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302n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230668
PNG
(CHEMBL3350393)
Show SMILES OC[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20?,21?,22?,23?,25-,28+,29?/m0/s1
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813n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230685
PNG
(CHEMBL3350356)
Show SMILES OC(=O)CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1/C34H40N4O6/c39-30(10-11-31(40)41)37-29(22-6-2-1-3-7-22)19-36-33(42)28(17-25-18-35-27-9-5-4-8-26(25)27)38-34(43)44-32-23-13-20-12-21(15-23)16-24(32)14-20/h1-9,18,20-21,23-24,28-29,32,35H,10-17,19H2,(H,36,42)(H,37,39)(H,38,43)(H,40,41)/t20?,21?,23?,24?,28-,29-,32?/s2
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977n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50230668
PNG
(CHEMBL3350393)
Show SMILES OC[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20?,21?,22?,23?,25-,28+,29?/m0/s1
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2.09E+3n/an/an/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse


J Med Chem 35: 1572-7 (1992)


Article DOI: 10.1021/jm00087a011
BindingDB Entry DOI: 10.7270/Q26H4KM8
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50230703
PNG
(CHEMBL296591)
Show SMILES [Br-].CCCCCCCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1/C24H50NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)23-25(2,3)21-22-27-24;/h26H,4-23H2,1-3H3;1H/q+1;/p-1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain


J Med Chem 36: 177-8 (1993)


Article DOI: 10.1021/jm00053a024
BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230660
PNG
(CHEMBL290646)
Show SMILES COc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C20H25NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h5,8-11,14,17H,2-4,6-7,12-13H2,1H3,(H,21,22)
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n/an/an/a 1.60n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
BindingDB Entry DOI: 10.7270/Q2B85BB0
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230659
PNG
(CHEMBL37549)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(8-12)11(9-17-14)6-7-16-15(18)10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,16,18)
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n/an/an/a 5n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
BindingDB Entry DOI: 10.7270/Q2B85BB0
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230658
PNG
(CHEMBL37721)
Show SMILES COc1ccc2cccc(CCNC(=O)Cc3ccccc3)c2c1
Show InChI InChI=1S/C21H21NO2/c1-24-19-11-10-17-8-5-9-18(20(17)15-19)12-13-22-21(23)14-16-6-3-2-4-7-16/h2-11,15H,12-14H2,1H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
BindingDB Entry DOI: 10.7270/Q2B85BB0
More data for this
Ligand-Target Pair