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140 similar compounds to monomer 50180775

Compile data set for download or QSAR
Wt: 1160.1
BDBM50368764
Wt: 813.8
BDBM50368762
Wt: 960.9
BDBM50368745
Wt: 1021.1
BDBM50000136
Wt: 1008.0
BDBM50000151
Wt: 980.0
BDBM50000156
Wt: 744.8
BDBM50001330
Wt: 762.9
BDBM50001453
Wt: 776.9
BDBM50001454
Wt: 748.9
BDBM50001438
Wt: 818.9
BDBM50001444
Wt: 1638.6
BDBM50006737
Wt: 1319.3
BDBM50024616
Wt: 1320.3
BDBM50024620
Wt: 885.0
BDBM50032217
Displayed 1 to 15 (of 129 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50368764,50368762,50368745,50000136,50000151,50000156,50001330,50001453,50001454,50001438,50001444,50006737,50024616,50024620,50032217   
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
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000136
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(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/C46H72N10O16/c1-10-23(6)37(44(69)51-29(15-16-33(47)60)40(65)52-31(19-35(62)63)42(67)53-32(46(71)72)17-21(2)3)56-43(68)36(22(4)5)55-45(70)38(25(8)57)54-34(61)20-48-39(64)24(7)49-41(66)30(50-26(9)58)18-27-11-13-28(59)14-12-27/h11-14,21-25,29-32,36-38,57,59H,10,15-20H2,1-9H3,(H2,47,60)(H,48,64)(H,49,66)(H,50,58)(H,51,69)(H,52,65)(H,53,67)(H,54,61)(H,55,70)(H,56,68)(H,62,63)(H,71,72)/t23-,24+,25-,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 7.30E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


J Med Chem 35: 346-50 (1992)


Article DOI: 10.1021/jm00080a021
BindingDB Entry DOI: 10.7270/Q2348JB2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368762
PNG
(CHEMBL2369634)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H47N7O14/c1-19(45)31(39-20(2)46)36(56)43-24(15-21-9-5-3-6-10-21)33(53)41-25(17-28(38)47)34(54)40-23(13-14-29(48)49)32(52)42-26(18-30(50)51)35(55)44-27(37(57)58)16-22-11-7-4-8-12-22/h3-12,19,23-27,31,45H,13-18H2,1-2H3,(H2,38,47)(H,39,46)(H,40,54)(H,41,53)(H,42,52)(H,43,56)(H,44,55)(H,48,49)(H,50,51)(H,57,58)/t19-,23+,24+,25+,26+,27+,31+/m1/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on mammalian ribonucleotide reductase


J Med Chem 36: 3859-62 (1994)


Article DOI: 10.1021/jm00076a015
BindingDB Entry DOI: 10.7270/Q2V40VTV
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000156
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H69N9O16/c1-10-22(6)35(42(66)50-31(19-54)40(64)48-29(17-33(59)60)39(63)49-30(44(68)69)15-20(2)3)53-41(65)34(21(4)5)52-43(67)36(24(8)55)51-32(58)18-45-37(61)23(7)46-38(62)28(47-25(9)56)16-26-11-13-27(57)14-12-26/h11-14,20-24,28-31,34-36,54-55,57H,10,15-19H2,1-9H3,(H,45,61)(H,46,62)(H,47,56)(H,48,64)(H,49,63)(H,50,66)(H,51,58)(H,52,67)(H,53,65)(H,59,60)(H,68,69)/t22-,23+,24-,28+,29+,30+,31+,34+,35+,36+/m1/s1
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n/an/a 3.95E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


J Med Chem 35: 346-50 (1992)


Article DOI: 10.1021/jm00080a021
BindingDB Entry DOI: 10.7270/Q2348JB2
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032217
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H64N6O10/c1-8-29(5)40(45(60)52-37(48(63)64)26-32-19-13-10-14-20-32)54-46(61)41(30(6)9-2)53-44(59)36(27-38(56)57)50-43(58)35(25-28(3)4)51-47(62)42(49-31(7)55)39(33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,28-30,35-37,39-42H,8-9,25-27H2,1-7H3,(H,49,55)(H,50,58)(H,51,62)(H,52,60)(H,53,59)(H,54,61)(H,56,57)(H,63,64)/t29-,30-,35-,36-,37-,40-,41-,42-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032217
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H64N6O10/c1-8-29(5)40(45(60)52-37(48(63)64)26-32-19-13-10-14-20-32)54-46(61)41(30(6)9-2)53-44(59)36(27-38(56)57)50-43(58)35(25-28(3)4)51-47(62)42(49-31(7)55)39(33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,28-30,35-37,39-42H,8-9,25-27H2,1-7H3,(H,49,55)(H,50,58)(H,51,62)(H,52,60)(H,53,59)(H,54,61)(H,56,57)(H,63,64)/t29-,30-,35-,36-,37-,40-,41-,42-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032217
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H64N6O10/c1-8-29(5)40(45(60)52-37(48(63)64)26-32-19-13-10-14-20-32)54-46(61)41(30(6)9-2)53-44(59)36(27-38(56)57)50-43(58)35(25-28(3)4)51-47(62)42(49-31(7)55)39(33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,28-30,35-37,39-42H,8-9,25-27H2,1-7H3,(H,49,55)(H,50,58)(H,51,62)(H,52,60)(H,53,59)(H,54,61)(H,56,57)(H,63,64)/t29-,30-,35-,36-,37-,40-,41-,42-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001454
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CCCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C38H64N8O9/c1-8-14-46(30(34(40)51)16-23(4)5)20-26(15-22(2)3)42-31(48)19-41-38(55)33(24(6)7)45-36(53)28(17-25-12-10-9-11-13-25)43-37(54)29(21-47)44-35(52)27(39)18-32(49)50/h9-13,22-24,26-30,33,47H,8,14-21,39H2,1-7H3,(H2,40,51)(H,41,55)(H,42,48)(H,43,54)(H,44,52)(H,45,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001438
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN(C)[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C36H60N8O9/c1-20(2)13-24(18-44(7)28(32(38)49)14-21(3)4)40-29(46)17-39-36(53)31(22(5)6)43-34(51)26(15-23-11-9-8-10-12-23)41-35(52)27(19-45)42-33(50)25(37)16-30(47)48/h8-12,20-22,24-28,31,45H,13-19,37H2,1-7H3,(H2,38,49)(H,39,53)(H,40,46)(H,41,52)(H,42,50)(H,43,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1
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n/an/a 193n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001453
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C37H62N8O9/c1-8-45(29(33(39)50)15-22(4)5)19-25(14-21(2)3)41-30(47)18-40-37(54)32(23(6)7)44-35(52)27(16-24-12-10-9-11-13-24)42-36(53)28(20-46)43-34(51)26(38)17-31(48)49/h9-13,21-23,25-29,32,46H,8,14-20,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,53)(H,43,51)(H,44,52)(H,48,49)/t25-,26-,27-,28-,29-,32-/m0/s1
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n/an/a 277n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001444
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN([C@@H](CC(C)C)C(N)=O)C(=O)CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C40H66N8O10/c1-22(2)14-27(20-48(33(51)16-24(5)6)31(36(42)54)15-23(3)4)44-32(50)19-43-40(58)35(25(7)8)47-38(56)29(17-26-12-10-9-11-13-26)45-39(57)30(21-49)46-37(55)28(41)18-34(52)53/h9-13,22-25,27-31,35,49H,14-21,41H2,1-8H3,(H2,42,54)(H,43,58)(H,44,50)(H,45,57)(H,46,55)(H,47,56)(H,52,53)/t27-,28-,29-,30-,31-,35-/m0/s1
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n/an/a 162n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368762
PNG
(CHEMBL2369634)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H47N7O14/c1-19(45)31(39-20(2)46)36(56)43-24(15-21-9-5-3-6-10-21)33(53)41-25(17-28(38)47)34(54)40-23(13-14-29(48)49)32(52)42-26(18-30(50)51)35(55)44-27(37(57)58)16-22-11-7-4-8-12-22/h3-12,19,23-27,31,45H,13-18H2,1-2H3,(H2,38,47)(H,39,46)(H,40,54)(H,41,53)(H,42,52)(H,43,56)(H,44,55)(H,48,49)(H,50,51)(H,57,58)/t19-,23+,24+,25+,26+,27+,31+/m1/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on mammalian ribonucleotide reductase


J Med Chem 36: 3859-62 (1994)


Article DOI: 10.1021/jm00076a015
BindingDB Entry DOI: 10.7270/Q2V40VTV
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006737
PNG
(CHEMBL3236280)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C70H107N15O30/c1-29(2)20-40(78-65(109)46(26-52(96)97)80-64(108)45(25-51(94)95)76-57(101)34(9)73-68(112)54(35(10)87)84-66(110)43(23-38-16-14-13-15-17-38)79-63(107)44(24-50(92)93)74-37(12)89)60(104)71-32(7)56(100)75-39(18-19-49(90)91)59(103)77-42(22-31(5)6)62(106)81-47(27-53(98)99)67(111)85-55(36(11)88)69(113)82-41(21-30(3)4)61(105)72-33(8)58(102)83-48(28-86)70(114)115/h13-17,29-36,39-48,54-55,86-88H,18-28H2,1-12H3,(H,71,104)(H,72,105)(H,73,112)(H,74,89)(H,75,100)(H,76,101)(H,77,103)(H,78,109)(H,79,107)(H,80,108)(H,81,106)(H,82,113)(H,83,102)(H,84,110)(H,85,111)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,114,115)/t32-,33-,34-,35+,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-,55-/m0/s1
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n/an/an/a 2.20E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50001330
PNG
((6,15-Dibenzyl-3-sec-butyl-16-methyl-2,5,8,14,17,2...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H52N6O8/c1-4-25(2)34-40(54)46-20-12-11-18-30(46)37(51)42-29(24-33(47)48)38(52)44(3)32(23-27-16-9-6-10-17-27)39(53)45-21-13-19-31(45)36(50)41-28(35(49)43-34)22-26-14-7-5-8-15-26/h5-10,14-17,25,28-32,34H,4,11-13,18-24H2,1-3H3,(H,41,50)(H,42,51)(H,43,49)(H,47,48)/t25-,28+,29-,30+,31-,32+,34-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.


J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50024616
PNG
(CHEMBL415171 | [Ala63] Hirudin55-65)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C58H86N12O23/c1-6-29(4)47(69-53(87)36(18-23-45(78)79)63-51(85)34(16-21-43(74)75)64-55(89)39(26-31-11-8-7-9-12-31)68-49(83)32(59)27-46(80)81)57(91)70-24-10-13-40(70)56(90)65-35(17-22-44(76)77)52(86)62-33(15-20-42(72)73)50(84)61-30(5)48(82)67-38(25-28(2)3)54(88)66-37(58(92)93)14-19-41(60)71/h7-9,11-12,28-30,32-40,47H,6,10,13-27,59H2,1-5H3,(H2,60,71)(H,61,84)(H,62,86)(H,63,85)(H,64,89)(H,65,90)(H,66,88)(H,67,82)(H,68,83)(H,69,87)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,92,93)/t29-,30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,47-/m0/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of plasma fibrin clot formation by thrombin in vitro.


J Med Chem 30: 1688-91 (1987)


Article DOI: 10.1021/jm00392a030
BindingDB Entry DOI: 10.7270/Q2RF5VM7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50024620
PNG
(CHEMBL268122 | [Glu63,Ala65] Hirudin55-65)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C58H85N11O24/c1-6-29(4)47(68-53(87)37(18-23-45(78)79)63-50(84)34(15-20-42(72)73)64-55(89)39(26-31-11-8-7-9-12-31)66-48(82)32(59)27-46(80)81)57(91)69-24-10-13-40(69)56(90)65-36(17-22-44(76)77)51(85)61-33(14-19-41(70)71)49(83)62-35(16-21-43(74)75)52(86)67-38(25-28(2)3)54(88)60-30(5)58(92)93/h7-9,11-12,28-30,32-40,47H,6,10,13-27,59H2,1-5H3,(H,60,88)(H,61,85)(H,62,83)(H,63,84)(H,64,89)(H,65,90)(H,66,82)(H,67,86)(H,68,87)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,92,93)/t29-,30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,47-/m0/s1
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n/an/a 5.91E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of plasma fibrin clot formation by thrombin in vitro.


J Med Chem 30: 1688-91 (1987)


Article DOI: 10.1021/jm00392a030
BindingDB Entry DOI: 10.7270/Q2RF5VM7
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368745
PNG
(CHEMBL2369633)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N8O15/c1-25(55)39(54-44(66)31(48-26(2)56)20-27-12-6-3-7-13-27)45(67)52-32(21-28-14-8-4-9-15-28)41(63)50-33(23-36(47)57)42(64)49-30(18-19-37(58)59)40(62)51-34(24-38(60)61)43(65)53-35(46(68)69)22-29-16-10-5-11-17-29/h3-17,25,30-35,39,55H,18-24H2,1-2H3,(H2,47,57)(H,48,56)(H,49,64)(H,50,63)(H,51,62)(H,52,67)(H,53,65)(H,54,66)(H,58,59)(H,60,61)(H,68,69)/t25-,30+,31+,32+,33+,34+,35+,39+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase


J Med Chem 36: 3859-62 (1994)


Article DOI: 10.1021/jm00076a015
BindingDB Entry DOI: 10.7270/Q2V40VTV
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368764
PNG
(CHEMBL2369635)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C54H69N11O18/c1-28(57-31(4)67)46(74)56-27-42(69)58-29(2)47(75)60-37(23-33-16-10-6-11-17-33)52(80)65-45(30(3)66)53(81)63-36(22-32-14-8-5-9-15-32)49(77)61-38(25-41(55)68)50(78)59-35(20-21-43(70)71)48(76)62-39(26-44(72)73)51(79)64-40(54(82)83)24-34-18-12-7-13-19-34/h5-19,28-30,35-40,45,66H,20-27H2,1-4H3,(H2,55,68)(H,56,74)(H,57,67)(H,58,69)(H,59,78)(H,60,75)(H,61,77)(H,62,76)(H,63,81)(H,64,79)(H,65,80)(H,70,71)(H,72,73)(H,82,83)/t28-,29-,30+,35-,36-,37-,38-,39-,40-,45-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase


J Med Chem 36: 3859-62 (1994)


Article DOI: 10.1021/jm00076a015
BindingDB Entry DOI: 10.7270/Q2V40VTV
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368745
PNG
(CHEMBL2369633)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N8O15/c1-25(55)39(54-44(66)31(48-26(2)56)20-27-12-6-3-7-13-27)45(67)52-32(21-28-14-8-4-9-15-28)41(63)50-33(23-36(47)57)42(64)49-30(18-19-37(58)59)40(62)51-34(24-38(60)61)43(65)53-35(46(68)69)22-29-16-10-5-11-17-29/h3-17,25,30-35,39,55H,18-24H2,1-2H3,(H2,47,57)(H,48,56)(H,49,64)(H,50,63)(H,51,62)(H,52,67)(H,53,65)(H,54,66)(H,58,59)(H,60,61)(H,68,69)/t25-,30+,31+,32+,33+,34+,35+,39+/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on mammalian ribonucleotide reductase


J Med Chem 36: 3859-62 (1994)


Article DOI: 10.1021/jm00076a015
BindingDB Entry DOI: 10.7270/Q2V40VTV
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000151
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H69N9O17/c1-10-22(6)36(43(68)50-30(18-34(61)62)40(65)49-29(17-33(59)60)41(66)51-31(45(70)71)15-20(2)3)54-42(67)35(21(4)5)53-44(69)37(24(8)55)52-32(58)19-46-38(63)23(7)47-39(64)28(48-25(9)56)16-26-11-13-27(57)14-12-26/h11-14,20-24,28-31,35-37,55,57H,10,15-19H2,1-9H3,(H,46,63)(H,47,64)(H,48,56)(H,49,65)(H,50,68)(H,51,66)(H,52,58)(H,53,69)(H,54,67)(H,59,60)(H,61,62)(H,70,71)/t22-,23+,24-,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


J Med Chem 35: 346-50 (1992)


Article DOI: 10.1021/jm00080a021
BindingDB Entry DOI: 10.7270/Q2348JB2
More data for this
Ligand-Target Pair