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40 similar compounds to monomer 50172738

Compile data set for download or QSAR
Wt: 518.4
BDBM50006333
Wt: 544.5
BDBM50006347
Wt: 459.4
BDBM50006276
Wt: 543.5
BDBM50006295
Wt: 516.5
BDBM50006299
Wt: 502.5
BDBM50006320
Wt: 486.5
BDBM50010184
Wt: 870.9
BDBM50013350
Wt: 686.7
BDBM50013354
Wt: 558.6
BDBM50013358
Wt: 600.6
BDBM50013359
Wt: 629.7
BDBM50013366
Wt: 828.9
BDBM50013368
Wt: 757.8
BDBM50013381
Wt: 639.7
BDBM50050834
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50006333,50006347,50006276,50006295,50006299,50006320,50010184,50013350,50013354,50013358,50013359,50013366,50013368,50013381,50050834   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010184
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C19H34N8O7/c1-9(2)15(16(20)32)27-18(34)12(7-14(30)31)26-13(29)8-24-17(33)11(25-10(3)28)5-4-6-23-19(21)22/h9,11-12,15H,4-8H2,1-3H3,(H2,20,32)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t11-,12-,15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006320
PNG
(2-(2-{2-[2-(2-Amino-acetylamino)-5-guanidino-penta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(O)=O
Show InChI InChI=1S/C19H34N8O8/c1-9(2)15(18(34)35)27-17(33)11(6-14(30)31)26-13(29)8-24-16(32)10(25-12(28)7-20)4-3-5-23-19(21)22/h9-11,15H,3-8,20H2,1-2H3,(H,24,32)(H,25,28)(H,26,29)(H,27,33)(H,30,31)(H,34,35)(H4,21,22,23)/t10-,11-,15-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013358
PNG
(CHEMBL102379 | H-Val-Val-Asn-Asp-Leu-OH | Val-Val-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C24H42N6O9/c1-10(2)7-15(24(38)39)29-21(35)14(9-17(32)33)27-20(34)13(8-16(25)31)28-23(37)19(12(5)6)30-22(36)18(26)11(3)4/h10-15,18-19H,7-9,26H2,1-6H3,(H2,25,31)(H,27,34)(H,28,37)(H,29,35)(H,30,36)(H,32,33)(H,38,39)/t13-,14-,15-,18-,19-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013354
PNG
(CHEMBL409888 | Gly-Ala-Val-Val-Asn-Asp-Leu | H-Gly...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C29H50N8O11/c1-12(2)8-18(29(47)48)35-26(44)17(10-21(40)41)33-25(43)16(9-19(31)38)34-27(45)22(13(3)4)37-28(46)23(14(5)6)36-24(42)15(7)32-20(39)11-30/h12-18,22-23H,8-11,30H2,1-7H3,(H2,31,38)(H,32,39)(H,33,43)(H,34,45)(H,35,44)(H,36,42)(H,37,46)(H,40,41)(H,47,48)/t15-,16-,17-,18-,22-,23-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013366
PNG
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C27H47N7O10/c1-11(2)8-17(27(43)44)32-24(40)16(10-19(36)37)30-23(39)15(9-18(29)35)31-25(41)20(12(3)4)34-26(42)21(13(5)6)33-22(38)14(7)28/h11-17,20-21H,8-10,28H2,1-7H3,(H2,29,35)(H,30,39)(H,31,41)(H,32,40)(H,33,38)(H,34,42)(H,36,37)(H,43,44)/t14-,15-,16-,17-,20-,21-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013381
PNG
(Ala-Gly-Ala-Val-Val-Asn-Asp-Leu | CHEMBL103140 | H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C32H55N9O12/c1-13(2)9-20(32(52)53)39-29(49)19(11-23(44)45)37-28(48)18(10-21(34)42)38-30(50)24(14(3)4)41-31(51)25(15(5)6)40-27(47)17(8)36-22(43)12-35-26(46)16(7)33/h13-20,24-25H,9-12,33H2,1-8H3,(H2,34,42)(H,35,46)(H,36,43)(H,37,48)(H,38,50)(H,39,49)(H,40,47)(H,41,51)(H,44,45)(H,52,53)/t16-,17-,18-,19-,20-,24-,25-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013359
PNG
(Ac-Val-Val-Asn-Asp-Leu | CHEMBL351157)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C26H44N6O10/c1-11(2)8-17(26(41)42)31-23(38)16(10-19(35)36)29-22(37)15(9-18(27)34)30-24(39)21(13(5)6)32-25(40)20(12(3)4)28-14(7)33/h11-13,15-17,20-21H,8-10H2,1-7H3,(H2,27,34)(H,28,33)(H,29,37)(H,30,39)(H,31,38)(H,32,40)(H,35,36)(H,41,42)/t15-,16-,17-,20-,21-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50050834
PNG
((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(3-ethyl-pent...)
Show SMILES CCC(CC)CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C31H53N5O9/c1-8-19(9-2)15-23(37)35-26(31(5,6)7)29(43)33-20(16-24(38)36-12-10-11-13-36)27(41)32-21(17-25(39)40)28(42)34-22(30(44)45)14-18(3)4/h18-22,26H,8-17H2,1-7H3,(H,32,41)(H,33,43)(H,34,42)(H,35,37)(H,39,40)(H,44,45)/t20-,21-,22-,26+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Bio-Méga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)


J Med Chem 39: 2178-87 (1996)


Article DOI: 10.1021/jm950825x
BindingDB Entry DOI: 10.7270/Q2BG2N22
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006333
PNG
(2-(2-{2-[2-(2-Amino-acetylamino)-5-guanidino-penta...)
Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H30N8O10/c19-6-11(27)24-8(2-1-3-22-18(20)21)15(33)23-7-12(28)25-9(4-13(29)30)16(34)26-10(17(35)36)5-14(31)32/h8-10H,1-7,19H2,(H,23,33)(H,24,27)(H,25,28)(H,26,34)(H,29,30)(H,31,32)(H,35,36)(H4,20,21,22)/t8-,9-,10-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006299
PNG
(2-(2-{2-[2-(2-Amino-acetylamino)-5-guanidino-penta...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(O)=O
Show InChI InChI=1S/C20H36N8O8/c1-10(2)6-13(19(35)36)28-18(34)12(7-16(31)32)27-15(30)9-25-17(33)11(26-14(29)8-21)4-3-5-24-20(22)23/h10-13H,3-9,21H2,1-2H3,(H,25,33)(H,26,29)(H,27,30)(H,28,34)(H,31,32)(H,35,36)(H4,22,23,24)/t11-,12-,13-/m0/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006276
PNG
(2-{2-[2-(2-Amino-5-guanidino-pentanoylamino)-acety...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C18H33N7O7/c1-9(2)6-12(17(31)32)25-16(30)11(7-14(27)28)24-13(26)8-23-15(29)10(19)4-3-5-22-18(20)21/h9-12H,3-8,19H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)(H4,20,21,22)/t10-,11-,12-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006276
PNG
(2-{2-[2-(2-Amino-5-guanidino-pentanoylamino)-acety...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C18H33N7O7/c1-9(2)6-12(17(31)32)25-16(30)11(7-14(27)28)24-13(26)8-23-15(29)10(19)4-3-5-22-18(20)21/h9-12H,3-8,19H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)(H4,20,21,22)/t10-,11-,12-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006333
PNG
(2-(2-{2-[2-(2-Amino-acetylamino)-5-guanidino-penta...)
Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H30N8O10/c19-6-11(27)24-8(2-1-3-22-18(20)21)15(33)23-7-12(28)25-9(4-13(29)30)16(34)26-10(17(35)36)5-14(31)32/h8-10H,1-7,19H2,(H,23,33)(H,24,27)(H,25,28)(H,26,34)(H,29,30)(H,31,32)(H,35,36)(H4,20,21,22)/t8-,9-,10-/m0/s1
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n/an/a 231n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006299
PNG
(2-(2-{2-[2-(2-Amino-acetylamino)-5-guanidino-penta...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(O)=O
Show InChI InChI=1S/C20H36N8O8/c1-10(2)6-13(19(35)36)28-18(34)12(7-16(31)32)27-15(30)9-25-17(33)11(26-14(29)8-21)4-3-5-24-20(22)23/h10-13H,3-9,21H2,1-2H3,(H,25,33)(H,26,29)(H,27,30)(H,28,34)(H,31,32)(H,35,36)(H4,22,23,24)/t11-,12-,13-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006295
PNG
(3-{2-[2-(2-Acetylamino-acetylamino)-5-guanidino-pe...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(N)=O
Show InChI InChI=1S/C21H37N9O8/c1-10(2)17(18(22)36)30-20(38)13(7-16(34)35)29-15(33)9-27-19(37)12(5-4-6-25-21(23)24)28-14(32)8-26-11(3)31/h10,12-13,17H,4-9H2,1-3H3,(H2,22,36)(H,26,31)(H,27,37)(H,28,32)(H,29,33)(H,30,38)(H,34,35)(H4,23,24,25)/t12-,13-,17-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006347
PNG
(2-(2-{2-[2-(2-Acetylamino-acetylamino)-5-guanidino...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C21H36N8O9/c1-10(2)17(20(37)38)29-19(36)13(7-16(33)34)28-15(32)9-26-18(35)12(5-4-6-24-21(22)23)27-14(31)8-25-11(3)30/h10,12-13,17H,4-9H2,1-3H3,(H,25,30)(H,26,35)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H,37,38)(H4,22,23,24)/t12-,13-,17-/m0/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006295
PNG
(3-{2-[2-(2-Acetylamino-acetylamino)-5-guanidino-pe...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(N)=O
Show InChI InChI=1S/C21H37N9O8/c1-10(2)17(18(22)36)30-20(38)13(7-16(34)35)29-15(33)9-27-19(37)12(5-4-6-25-21(23)24)28-14(32)8-26-11(3)31/h10,12-13,17H,4-9H2,1-3H3,(H2,22,36)(H,26,31)(H,27,37)(H,28,32)(H,29,33)(H,30,38)(H,34,35)(H4,23,24,25)/t12-,13-,17-/m0/s1
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n/an/a 434n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006347
PNG
(2-(2-{2-[2-(2-Acetylamino-acetylamino)-5-guanidino...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C21H36N8O9/c1-10(2)17(20(37)38)29-19(36)13(7-16(33)34)28-15(32)9-26-18(35)12(5-4-6-24-21(22)23)27-14(31)8-25-11(3)30/h10,12-13,17H,4-9H2,1-3H3,(H,25,30)(H,26,35)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H,37,38)(H4,22,23,24)/t12-,13-,17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006320
PNG
(2-(2-{2-[2-(2-Amino-acetylamino)-5-guanidino-penta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(O)=O
Show InChI InChI=1S/C19H34N8O8/c1-9(2)15(18(34)35)27-17(33)11(6-14(30)31)26-13(29)8-24-16(32)10(25-12(28)7-20)4-3-5-23-19(21)22/h9-11,15H,3-8,20H2,1-2H3,(H,24,32)(H,25,28)(H,26,29)(H,27,33)(H,30,31)(H,34,35)(H4,21,22,23)/t10-,11-,15-/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
RRM1/RRM2 holoenzyme


(Homo sapiens (Human))
BDBM50013366
PNG
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C27H47N7O10/c1-11(2)8-17(27(43)44)32-24(40)16(10-19(36)37)30-23(39)15(9-18(29)35)31-25(41)20(12(3)4)34-26(42)21(13(5)6)33-22(38)14(7)28/h11-17,20-21H,8-10,28H2,1-7H3,(H2,29,35)(H,30,39)(H,31,41)(H,32,40)(H,33,38)(H,34,42)(H,36,37)(H,43,44)/t14-,15-,16-,17-,20-,21-/m0/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase


J Med Chem 38: 3617-23 (1995)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
RRM1/RRM2 holoenzyme


(Homo sapiens (Human))
BDBM50013358
PNG
(CHEMBL102379 | H-Val-Val-Asn-Asp-Leu-OH | Val-Val-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C24H42N6O9/c1-10(2)7-15(24(38)39)29-21(35)14(9-17(32)33)27-20(34)13(8-16(25)31)28-23(37)19(12(5)6)30-22(36)18(26)11(3)4/h10-15,18-19H,7-9,26H2,1-6H3,(H2,25,31)(H,27,34)(H,28,37)(H,29,35)(H,30,36)(H,32,33)(H,38,39)/t13-,14-,15-,18-,19-/m0/s1
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n/an/a 7.60E+5n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010184
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C19H34N8O7/c1-9(2)15(16(20)32)27-18(34)12(7-14(30)31)26-13(29)8-24-17(33)11(25-10(3)28)5-4-6-23-19(21)22/h9,11-12,15H,4-8H2,1-3H3,(H2,20,32)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t11-,12-,15-/m0/s1
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n/an/a 5.55E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human washed platelet aggregation


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013350
PNG
(CHEMBL349664 | Leu-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H66N10O13/c1-16(2)11-22(39)33(55)43-20(9)31(53)41-15-27(50)42-21(10)32(54)47-30(19(7)8)37(59)48-29(18(5)6)36(58)45-23(13-26(40)49)34(56)44-24(14-28(51)52)35(57)46-25(38(60)61)12-17(3)4/h16-25,29-30H,11-15,39H2,1-10H3,(H2,40,49)(H,41,53)(H,42,50)(H,43,55)(H,44,56)(H,45,58)(H,46,57)(H,47,54)(H,48,59)(H,51,52)(H,60,61)/t20-,21-,22-,23-,24-,25-,29-,30-/m0/s1
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n/an/a 2.11E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013381
PNG
(Ala-Gly-Ala-Val-Val-Asn-Asp-Leu | CHEMBL103140 | H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C32H55N9O12/c1-13(2)9-20(32(52)53)39-29(49)19(11-23(44)45)37-28(48)18(10-21(34)42)38-30(50)24(14(3)4)41-31(51)25(15(5)6)40-27(47)17(8)36-22(43)12-35-26(46)16(7)33/h13-20,24-25H,9-12,33H2,1-8H3,(H2,34,42)(H,35,46)(H,36,43)(H,37,48)(H,38,50)(H,39,49)(H,40,47)(H,41,51)(H,44,45)(H,52,53)/t16-,17-,18-,19-,20-,24-,25-/m0/s1
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n/an/a 2.83E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013368
PNG
(Ala-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu | CHEMBL162547)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C35H60N10O13/c1-14(2)10-22(35(57)58)43-32(54)21(12-25(48)49)41-31(53)20(11-23(37)46)42-33(55)26(15(3)4)45-34(56)27(16(5)6)44-30(52)19(9)39-24(47)13-38-29(51)18(8)40-28(50)17(7)36/h14-22,26-27H,10-13,36H2,1-9H3,(H2,37,46)(H,38,51)(H,39,47)(H,40,50)(H,41,53)(H,42,55)(H,43,54)(H,44,52)(H,45,56)(H,48,49)(H,57,58)/t17-,18-,19-,20-,21-,22-,26-,27-/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013358
PNG
(CHEMBL102379 | H-Val-Val-Asn-Asp-Leu-OH | Val-Val-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C24H42N6O9/c1-10(2)7-15(24(38)39)29-21(35)14(9-17(32)33)27-20(34)13(8-16(25)31)28-23(37)19(12(5)6)30-22(36)18(26)11(3)4/h10-15,18-19H,7-9,26H2,1-6H3,(H2,25,31)(H,27,34)(H,28,37)(H,29,35)(H,30,36)(H,32,33)(H,38,39)/t13-,14-,15-,18-,19-/m0/s1
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n/an/a 7.60E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013366
PNG
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C27H47N7O10/c1-11(2)8-17(27(43)44)32-24(40)16(10-19(36)37)30-23(39)15(9-18(29)35)31-25(41)20(12(3)4)34-26(42)21(13(5)6)33-22(38)14(7)28/h11-17,20-21H,8-10,28H2,1-7H3,(H2,29,35)(H,30,39)(H,31,41)(H,32,40)(H,33,38)(H,34,42)(H,36,37)(H,43,44)/t14-,15-,16-,17-,20-,21-/m0/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013354
PNG
(CHEMBL409888 | Gly-Ala-Val-Val-Asn-Asp-Leu | H-Gly...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C29H50N8O11/c1-12(2)8-18(29(47)48)35-26(44)17(10-21(40)41)33-25(43)16(9-19(31)38)34-27(45)22(13(3)4)37-28(46)23(14(5)6)36-24(42)15(7)32-20(39)11-30/h12-18,22-23H,8-11,30H2,1-7H3,(H2,31,38)(H,32,39)(H,33,43)(H,34,45)(H,35,44)(H,36,42)(H,37,46)(H,40,41)(H,47,48)/t15-,16-,17-,18-,22-,23-/m0/s1
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n/an/a 2.25E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013359
PNG
(Ac-Val-Val-Asn-Asp-Leu | CHEMBL351157)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C26H44N6O10/c1-11(2)8-17(26(41)42)31-23(38)16(10-19(35)36)29-22(37)15(9-18(27)34)30-24(39)21(13(5)6)32-25(40)20(12(3)4)28-14(7)33/h11-13,15-17,20-21H,8-10H2,1-7H3,(H2,27,34)(H,28,33)(H,29,37)(H,30,39)(H,31,38)(H,32,40)(H,35,36)(H,41,42)/t15-,16-,17-,20-,21-/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013368
PNG
(Ala-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu | CHEMBL162547)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C35H60N10O13/c1-14(2)10-22(35(57)58)43-32(54)21(12-25(48)49)41-31(53)20(11-23(37)46)42-33(55)26(15(3)4)45-34(56)27(16(5)6)44-30(52)19(9)39-24(47)13-38-29(51)18(8)40-28(50)17(7)36/h14-22,26-27H,10-13,36H2,1-9H3,(H2,37,46)(H,38,51)(H,39,47)(H,40,50)(H,41,53)(H,42,55)(H,43,54)(H,44,52)(H,45,56)(H,48,49)(H,57,58)/t17-,18-,19-,20-,21-,22-,26-,27-/m0/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013350
PNG
(CHEMBL349664 | Leu-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H66N10O13/c1-16(2)11-22(39)33(55)43-20(9)31(53)41-15-27(50)42-21(10)32(54)47-30(19(7)8)37(59)48-29(18(5)6)36(58)45-23(13-26(40)49)34(56)44-24(14-28(51)52)35(57)46-25(38(60)61)12-17(3)4/h16-25,29-30H,11-15,39H2,1-10H3,(H2,40,49)(H,41,53)(H,42,50)(H,43,55)(H,44,56)(H,45,58)(H,46,57)(H,47,54)(H,48,59)(H,51,52)(H,60,61)/t20-,21-,22-,23-,24-,25-,29-,30-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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n/an/a 5.50E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair