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144 similar compounds to monomer 50189010

Compile data set for download or QSAR
Wt: 597.7
BDBM86417
Wt: 416.5
BDBM14130
Wt: 719.8
BDBM21002
Wt: 721.8
BDBM21003
Wt: 887.9
BDBM82550
Wt: 1111.2
BDBM86142
Wt: 569.6
BDBM86415
Wt: 611.7
BDBM86419
Wt: 611.7
BDBM85737
Wt: 406.4
BDBM92368
Wt: 390.4
BDBM92369
Wt: 420.5
BDBM92371
Wt: 420.5
BDBM92375
Wt: 476.5
BDBM50046893
Wt: 476.5
BDBM50046892
Displayed 1 to 15 (of 144 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 86417,14130,21002,21003,82550,86142,86415,86419,85737,92368,92369,92371,92375,50046893,50046892   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82550
PNG
(CAS_118476-87-2 | Dermorphin | NSC_125954)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O
Show InChI InChI=1S/C43H57N11O10/c44-30(20-26-10-14-28(56)15-11-26)38(60)51-31(8-4-18-48-43(46)47)40(62)52-32(21-25-6-2-1-3-7-25)39(61)49-23-36(58)50-33(22-27-12-16-29(57)17-13-27)42(64)54-19-5-9-35(54)41(63)53-34(24-55)37(45)59/h1-3,6-7,10-17,30-35,55-57H,4-5,8-9,18-24,44H2,(H2,45,59)(H,49,61)(H,50,58)(H,51,60)(H,52,62)(H,53,63)(H4,46,47,48)
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0.330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86417
PNG
(5-amino-2-{1-[1-[1-amino-2-(4-hydroxyphenyl)ethylc...)
Show SMILES NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H43N9O5/c30-14-4-8-22(25(32)40)36-28(43)24(17-18-6-2-1-3-7-18)38-27(42)23(9-5-15-35-29(33)34)37-26(41)21(31)16-19-10-12-20(39)13-11-19/h1-3,6-7,10-13,21-24,39H,4-5,8-9,14-17,30-31H2,(H2,32,40)(H,36,43)(H,37,41)(H,38,42)(H4,33,34,35)/t21-,22-,23+,24-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu by displacement of radioligand [3H]-DAGO in rat brain membrane


J Med Chem 32: 698-703 (1989)


Article DOI: 10.1021/jm00123a035
BindingDB Entry DOI: 10.7270/Q29W0DGM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86417
PNG
(5-amino-2-{1-[1-[1-amino-2-(4-hydroxyphenyl)ethylc...)
Show SMILES NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H43N9O5/c30-14-4-8-22(25(32)40)36-28(43)24(17-18-6-2-1-3-7-18)38-27(42)23(9-5-15-35-29(33)34)37-26(41)21(31)16-19-10-12-20(39)13-11-19/h1-3,6-7,10-13,21-24,39H,4-5,8-9,14-17,30-31H2,(H2,32,40)(H,36,43)(H,37,41)(H,38,42)(H4,33,34,35)/t21-,22-,23+,24-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86419
PNG
(CAS_122222 | DALDA | NSC_122222)
Show SMILES NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)
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1.69n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM85737
PNG
(CAS_122222 | DALDA | NSC_122222)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1
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1.69n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86415
PNG
(Tyr-d-Arg-Phe-A2pr-NH2)
Show SMILES NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H39N9O5/c28-15-22(23(30)38)36-26(41)21(14-16-5-2-1-3-6-16)35-25(40)20(7-4-12-33-27(31)32)34-24(39)19(29)13-17-8-10-18(37)11-9-17/h1-3,5-6,8-11,19-22,37H,4,7,12-15,28-29H2,(H2,30,38)(H,34,39)(H,35,40)(H,36,41)(H4,31,32,33)/t19-,20+,21-,22-/m0/s1
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2.55n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM86142
PNG
(1DMe-Y8Fa | CAS_132709 | NSC_132709)
Show SMILES CC(C)CC(N(C)C(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)
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5.30n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14130
PNG
((2S)-N-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2R...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C=O
Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16?,17-,18+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86417
PNG
(5-amino-2-{1-[1-[1-amino-2-(4-hydroxyphenyl)ethylc...)
Show SMILES NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H43N9O5/c30-14-4-8-22(25(32)40)36-28(43)24(17-18-6-2-1-3-7-18)38-27(42)23(9-5-15-35-29(33)34)37-26(41)21(31)16-19-10-12-20(39)13-11-19/h1-3,6-7,10-13,21-24,39H,4-5,8-9,14-17,30-31H2,(H2,32,40)(H,36,43)(H,37,41)(H,38,42)(H4,33,34,35)/t21-,22-,23+,24-/m0/s1
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10.4n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86415
PNG
(Tyr-d-Arg-Phe-A2pr-NH2)
Show SMILES NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H39N9O5/c28-15-22(23(30)38)36-26(41)21(14-16-5-2-1-3-6-16)35-25(40)20(7-4-12-33-27(31)32)34-24(39)19(29)13-17-8-10-18(37)11-9-17/h1-3,5-6,8-11,19-22,37H,4,7,12-15,28-29H2,(H2,30,38)(H,34,39)(H,35,40)(H,36,41)(H4,31,32,33)/t19-,20+,21-,22-/m0/s1
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12.7n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86419
PNG
(CAS_122222 | DALDA | NSC_122222)
Show SMILES NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)
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12.9n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14130
PNG
((2S)-N-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2R...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C=O
Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16?,17-,18+/m1/s1
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18n/a 85n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82550
PNG
(CAS_118476-87-2 | Dermorphin | NSC_125954)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O
Show InChI InChI=1S/C43H57N11O10/c44-30(20-26-10-14-28(56)15-11-26)38(60)51-31(8-4-18-48-43(46)47)40(62)52-32(21-25-6-2-1-3-7-25)39(61)49-23-36(58)50-33(22-27-12-16-29(57)17-13-27)42(64)54-19-5-9-35(54)41(63)53-34(24-55)37(45)59/h1-3,6-7,10-17,30-35,55-57H,4-5,8-9,18-24,44H2,(H2,45,59)(H,49,61)(H,50,58)(H,51,60)(H,52,62)(H,53,63)(H4,46,47,48)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82550
PNG
(CAS_118476-87-2 | Dermorphin | NSC_125954)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O
Show InChI InChI=1S/C43H57N11O10/c44-30(20-26-10-14-28(56)15-11-26)38(60)51-31(8-4-18-48-43(46)47)40(62)52-32(21-25-6-2-1-3-7-25)39(61)49-23-36(58)50-33(22-27-12-16-29(57)17-13-27)42(64)54-19-5-9-35(54)41(63)53-34(24-55)37(45)59/h1-3,6-7,10-17,30-35,55-57H,4-5,8-9,18-24,44H2,(H2,45,59)(H,49,61)(H,50,58)(H,51,60)(H,52,62)(H,53,63)(H4,46,47,48)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM85737
PNG
(CAS_122222 | DALDA | NSC_122222)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1
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4.23E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM21002
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Show SMILES CC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C41H49N7O5/c1-2-34(46-37(50)27-30-15-19-32(20-16-30)31-12-7-4-8-13-31)39(52)47-35(14-9-24-45-41(42)43)40(53)48-36(26-29-17-21-33(49)22-18-29)38(51)44-25-23-28-10-5-3-6-11-28/h3-8,10-13,15-22,34-36,49H,2,9,14,23-27H2,1H3,(H,44,51)(H,46,50)(H,47,52)(H,48,53)(H4,42,43,45)/t34-,35+,36-/m0/s1
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6.00E+3 -7.12n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86417
PNG
(5-amino-2-{1-[1-[1-amino-2-(4-hydroxyphenyl)ethylc...)
Show SMILES NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H43N9O5/c30-14-4-8-22(25(32)40)36-28(43)24(17-18-6-2-1-3-7-18)38-27(42)23(9-5-15-35-29(33)34)37-26(41)21(31)16-19-10-12-20(39)13-11-19/h1-3,6-7,10-13,21-24,39H,4-5,8-9,14-17,30-31H2,(H2,32,40)(H,36,43)(H,37,41)(H,38,42)(H4,33,34,35)/t21-,22-,23+,24-/m0/s1
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9.29E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta by displacement of radioligand [3H]-DSLET in rat brain membrane


J Med Chem 32: 698-703 (1989)


Article DOI: 10.1021/jm00123a035
BindingDB Entry DOI: 10.7270/Q29W0DGM
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM21003
PNG
((2R)-5-[(diaminomethylidene)amino]-2-[(2S)-2-forma...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](C[NH3+])NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C40H48N8O5/c41-26-35(46-36(50)25-29-13-17-31(18-14-29)30-10-5-2-6-11-30)39(53)47-33(12-7-22-45-40(42)43)38(52)48-34(24-28-15-19-32(49)20-16-28)37(51)44-23-21-27-8-3-1-4-9-27/h1-6,8-11,13-20,33-35,49H,7,12,21-26,41H2,(H,44,51)(H,46,50)(H,47,53)(H,48,52)(H4,42,43,45)/p+1/t33-,34+,35+/m1/s1
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1.07E+4 -6.78n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM92368
PNG
(RY Analogue, 8)
Show SMILES CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C19H30N6O4/c1-3-22-17(28)16(11-13-6-8-14(27)9-7-13)25-18(29)15(24-12(2)26)5-4-10-23-19(20)21/h6-9,15-16,27H,3-5,10-11H2,1-2H3,(H,22,28)(H,24,26)(H,25,29)(H4,20,21,23)/t15-,16-/m0/s1
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8.40E+4 -5.56n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM92371
PNG
(RY Analogue, 11)
Show SMILES CCNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C20H32N6O4/c1-4-23-18(28)17(12-14-7-9-15(30-3)10-8-14)26-19(29)16(25-13(2)27)6-5-11-24-20(21)22/h7-10,16-17H,4-6,11-12H2,1-3H3,(H,23,28)(H,25,27)(H,26,29)(H4,21,22,24)/t16-,17-/m0/s1
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8.70E+4 -5.54n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM92375
PNG
(RY Analogue, 16)
Show SMILES CCNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C20H32N6O4/c1-4-23-18(29)17(12-14-7-9-15(28)10-8-14)26(3)19(30)16(25-13(2)27)6-5-11-24-20(21)22/h7-10,16-17,28H,4-6,11-12H2,1-3H3,(H,23,29)(H,25,27)(H4,21,22,24)/t16-,17-/m0/s1
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1.45E+5 -5.23n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM92369
PNG
(RY Analogue, 9)
Show SMILES CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C19H30N6O3/c1-3-22-17(27)16(12-14-8-5-4-6-9-14)25-18(28)15(24-13(2)26)10-7-11-23-19(20)21/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,22,27)(H,24,26)(H,25,28)(H4,20,21,23)/t15-,16-/m0/s1
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3.39E+5 -4.73n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046892
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(27-15(3)31)22(34)29-20(12-16-6-8-18(32)9-7-16)21(33)28-17(13-30)5-4-10-26-23(24)25/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50046893
PNG
(2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(21(33)28-17(13-30)5-4-10-26-23(24)25)29-22(34)20(27-15(3)31)12-16-6-8-18(32)9-7-16/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50046892
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(27-15(3)31)22(34)29-20(12-16-6-8-18(32)9-7-16)21(33)28-17(13-30)5-4-10-26-23(24)25/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50046892
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(27-15(3)31)22(34)29-20(12-16-6-8-18(32)9-7-16)21(33)28-17(13-30)5-4-10-26-23(24)25/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046893
PNG
(2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(21(33)28-17(13-30)5-4-10-26-23(24)25)29-22(34)20(27-15(3)31)12-16-6-8-18(32)9-7-16/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046892
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(27-15(3)31)22(34)29-20(12-16-6-8-18(32)9-7-16)21(33)28-17(13-30)5-4-10-26-23(24)25/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046893
PNG
(2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(21(33)28-17(13-30)5-4-10-26-23(24)25)29-22(34)20(27-15(3)31)12-16-6-8-18(32)9-7-16/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50046893
PNG
(2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(21(33)28-17(13-30)5-4-10-26-23(24)25)29-22(34)20(27-15(3)31)12-16-6-8-18(32)9-7-16/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


Article DOI: 10.1021/jm00060a016
BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair