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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'komiyama' and Initial = 'k'   
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))
BDBM50289727
PNG
(4-Hydroxy-piperidine-1-carboxylic acid ((S)-1-{[(S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1
Show InChI InChI=1S/C36H56N6O6/c1-24(2)32(44)21-33(45)29(18-25-10-6-4-7-11-25)39-34(46)31(20-27-22-37-23-38-27)41(3)35(47)30(19-26-12-8-5-9-13-26)40-36(48)42-16-14-28(43)15-17-42/h5,8-9,12-13,22-25,28-33,43-45H,4,6-7,10-11,14-21H2,1-3H3,(H,37,38)(H,39,46)(H,40,48)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289726
PNG
(1H-Benzoimidazole-2-carboxylic acid [(S)-1-((1S,2S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C28H40N6O4/c1-17(2)24(35)14-25(36)22(12-18-8-4-3-5-9-18)33-27(37)23(13-19-15-29-16-30-19)34-28(38)26-31-20-10-6-7-11-21(20)32-26/h6-7,10-11,15-18,22-25,35-36H,3-5,8-9,12-14H2,1-2H3,(H,29,30)(H,31,32)(H,33,37)(H,34,38)/t22-,23-,24-,25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of marmoset plasma renin, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289716
PNG
(5-Fluoro-1H-indole-2-carboxylic acid [(S)-1-((1S,2...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C29H40FN5O4/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)34-29(39)25(13-21-15-31-16-32-21)35-28(38)24-12-19-11-20(30)8-9-22(19)33-24/h8-9,11-12,15-18,23,25-27,33,36-37H,3-7,10,13-14H2,1-2H3,(H,31,32)(H,34,39)(H,35,38)/t23-,25-,26-,27-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289724
PNG
(1-Oxo-1,2-dihydro-isoquinoline-3-carboxylic acid [...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C30H41N5O5/c1-18(2)26(36)15-27(37)23(12-19-8-4-3-5-9-19)33-30(40)25(14-21-16-31-17-32-21)35-29(39)24-13-20-10-6-7-11-22(20)28(38)34-24/h6-7,10-11,13,16-19,23,25-27,36-37H,3-5,8-9,12,14-15H2,1-2H3,(H,31,32)(H,33,40)(H,34,38)(H,35,39)/t23-,25-,26-,27-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of dog plasma renin, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289723
PNG
(Benzofuran-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C29H40N4O5/c1-18(2)24(34)15-25(35)22(12-19-8-4-3-5-9-19)32-28(36)23(14-21-16-30-17-31-21)33-29(37)27-13-20-10-6-7-11-26(20)38-27/h6-7,10-11,13,16-19,22-25,34-35H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)/t22-,23-,24-,25-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289720
PNG
(5-Chloro-1H-indole-2-carboxylic acid [(S)-1-((1S,2...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C29H40ClN5O4/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)34-29(39)25(13-21-15-31-16-32-21)35-28(38)24-12-19-11-20(30)8-9-22(19)33-24/h8-9,11-12,15-18,23,25-27,33,36-37H,3-7,10,13-14H2,1-2H3,(H,31,32)(H,34,39)(H,35,38)/t23-,25-,26-,27-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289722
PNG
(1-Acetyl-1H-indole-2-carboxylic acid [(S)-1-((1S,2...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2n1C(C)=O
Show InChI InChI=1S/C31H43N5O5/c1-19(2)28(38)16-29(39)24(13-21-9-5-4-6-10-21)34-30(40)25(15-23-17-32-18-33-23)35-31(41)27-14-22-11-7-8-12-26(22)36(27)20(3)37/h7-8,11-12,14,17-19,21,24-25,28-29,38-39H,4-6,9-10,13,15-16H2,1-3H3,(H,32,33)(H,34,40)(H,35,41)/t24-,25-,28-,29-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289721
PNG
((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C30H45N5O4/c1-19(2)27(36)15-28(37)24(12-20-8-4-3-5-9-20)34-30(39)26(14-23-17-31-18-33-23)35-29(38)25-13-21-10-6-7-11-22(21)16-32-25/h6-7,10-11,17-20,24-28,32,36-37H,3-5,8-9,12-16H2,1-2H3,(H,31,33)(H,34,39)(H,35,38)/t24-,25-,26-,27-,28-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289718
PNG
(5-Hydroxy-1H-indole-2-carboxylic acid [(S)-1-((1S,...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C29H41N5O5/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)33-29(39)25(13-20-15-30-16-31-20)34-28(38)24-12-19-11-21(35)8-9-22(19)32-24/h8-9,11-12,15-18,23,25-27,32,35-37H,3-7,10,13-14H2,1-2H3,(H,30,31)(H,33,39)(H,34,38)/t23-,25-,26-,27-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289725
PNG
(CHEMBL301306 | Isoquinoline-3-carboxylic acid [(S)...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2cn1
Show InChI InChI=1S/C30H41N5O4/c1-19(2)27(36)15-28(37)24(12-20-8-4-3-5-9-20)34-30(39)26(14-23-17-31-18-33-23)35-29(38)25-13-21-10-6-7-11-22(21)16-32-25/h6-7,10-11,13,16-20,24,26-28,36-37H,3-5,8-9,12,14-15H2,1-2H3,(H,31,33)(H,34,39)(H,35,38)/t24-,26-,27-,28-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289715
PNG
(1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid [(S)-1...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C28H40N6O4/c1-17(2)24(35)14-25(36)21(11-18-7-4-3-5-8-18)33-28(38)23(13-20-15-29-16-31-20)34-27(37)22-12-19-9-6-10-30-26(19)32-22/h6,9-10,12,15-18,21,23-25,35-36H,3-5,7-8,11,13-14H2,1-2H3,(H,29,31)(H,30,32)(H,33,38)(H,34,37)/t21-,23-,24-,25-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289713
PNG
(2,3-Dihydro-1H-indole-2-carboxylic acid [(S)-1-((1...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1Cc2ccccc2N1
Show InChI InChI=1S/C29H43N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,16-19,23-27,32,35-36H,3-5,8-9,12-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,24?,25-,26-,27-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 68: 447-9 (2005)


Article DOI: 10.1021/np049622e
BindingDB Entry DOI: 10.7270/Q2Z320J8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50240897
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 68: 447-9 (2005)


Article DOI: 10.1021/np049622e
BindingDB Entry DOI: 10.7270/Q2Z320J8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50240943
PNG
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-chrom...)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 68: 447-9 (2005)


Article DOI: 10.1021/np049622e
BindingDB Entry DOI: 10.7270/Q2Z320J8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289719
PNG
(1H-Pyrrole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc[nH]1
Show InChI InChI=1S/C25H39N5O4/c1-16(2)22(31)13-23(32)20(11-17-7-4-3-5-8-17)29-25(34)21(12-18-14-26-15-28-18)30-24(33)19-9-6-10-27-19/h6,9-10,14-17,20-23,27,31-32H,3-5,7-8,11-13H2,1-2H3,(H,26,28)(H,29,34)(H,30,33)/t20-,21-,22-,23-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289713
PNG
(2,3-Dihydro-1H-indole-2-carboxylic acid [(S)-1-((1...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1Cc2ccccc2N1
Show InChI InChI=1S/C29H43N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,16-19,23-27,32,35-36H,3-5,8-9,12-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,24?,25-,26-,27-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of monkey plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289717
PNG
(Benzo[b]thiophene-2-carboxylic acid [(S)-1-((1S,2S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C29H40N4O4S/c1-18(2)24(34)15-25(35)22(12-19-8-4-3-5-9-19)32-28(36)23(14-21-16-30-17-31-21)33-29(37)27-13-20-10-6-7-11-26(20)38-27/h6-7,10-11,13,16-19,22-25,34-35H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)/t22-,23-,24-,25-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against cathepsin D (bovine), expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against ACE human, expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory effect of the compound was evaluated against pepsin, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50289714
PNG
(1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of rat plasma renin, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair