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59 molecules are shown

Compile data set for download or QSAR
Wt: 805.0
BDBM50022521
Wt: 661.8
BDBM50022367
Wt: 242.6
BDBM50022596
Wt: 589.7
BDBM50023047
Wt: 623.8
BDBM50023022
Wt: 611.8
BDBM50022592
Wt: 599.7
BDBM50022598
Wt: 621.7
BDBM50023034
Wt: 585.7
BDBM50023041
Wt: 571.7
BDBM50023028
Wt: 629.8
BDBM50405545
Wt: 661.8
BDBM50023045
Wt: 649.8
BDBM50023037
Wt: 679.9
BDBM50023032
Wt: 679.9
BDBM50023025
<<  First   |  Previous   |  Displayed 31 to 45 (of 59 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50022521,50022367,50022596,50023047,50023022,50022592,50022598,50023034,50023041,50023028,50405545,50023045,50023037,50023032,50023025   
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
Renin


(Homo sapiens (Human))
BDBM50405545
PNG
(CHEMBL2115380 | CHEMBL3350696)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC1CCCCC1
Show InChI InChI=1S/C33H51N5O5S/c1-22(2)16-26(29(39)20-44-25-14-10-7-11-15-25)36-31(41)28(18-24-19-34-21-35-24)37-30(40)27(17-23-12-8-6-9-13-23)38-32(42)43-33(3,4)5/h6,8-9,12-13,19,21-22,25-29,39H,7,10-11,14-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27-,28-,29-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405545
PNG
(CHEMBL2115380 | CHEMBL3350696)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC1CCCCC1
Show InChI InChI=1S/C33H51N5O5S/c1-22(2)16-26(29(39)20-44-25-14-10-7-11-15-25)36-31(41)28(18-24-19-34-21-35-24)37-30(40)27(17-23-12-8-6-9-13-23)38-32(42)43-33(3,4)5/h6,8-9,12-13,19,21-22,25-29,39H,7,10-11,14-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27-,28-,29-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022598
PNG
(CHEMBL3348548 | CHEMBL73932 | {1-[1-(1-Cyclohexylm...)
Show SMILES CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H49N5O6/c1-5-27(38)28(39)24(16-21-12-8-6-9-13-21)35-30(41)26(18-23-19-33-20-34-23)36-29(40)25(17-22-14-10-7-11-15-22)37-31(42)43-32(2,3)4/h7,10-11,14-15,19-21,24-28,38-39H,5-6,8-9,12-13,16-18H2,1-4H3,(H,33,34)(H,35,41)(H,36,40)(H,37,42)/t24-,25-,26-,27-,28+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022521
PNG
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)
Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1
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n/an/a>1n/an/an/an/a1.9n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin at pH 1.9


J Med Chem 31: 625-9 (1988)


Article DOI: 10.1021/jm00398a022
BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022521
PNG
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)
Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1
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n/an/a 7n/an/an/an/a7.4n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of human renin at pH 6.0


J Med Chem 31: 625-9 (1988)


Article DOI: 10.1021/jm00398a022
BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022521
PNG
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)
Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1
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n/an/a>1n/an/an/an/a3.2n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.1


J Med Chem 31: 625-9 (1988)


Article DOI: 10.1021/jm00398a022
BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023022
PNG
(CHEMBL3144117 | CHEMBL41095 | {1-[1-[1-(1-Hydroxy-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSc1ccccc1
Show InChI InChI=1S/C33H45N5O5S/c1-22(2)16-26(29(39)20-44-25-14-10-7-11-15-25)36-31(41)28(18-24-19-34-21-35-24)37-30(40)27(17-23-12-8-6-9-13-23)38-32(42)43-33(3,4)5/h6-15,19,21-22,26-29,39H,16-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27+,28+,29-/m1/s1
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n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023025
PNG
(CHEMBL3144145 | CHEMBL41476 | {1-[1-[1-(2-Cyclohex...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1
Show InChI InChI=1S/C37H53N5O5S/c1-24(2)17-30(33(43)22-48-29-13-7-6-8-14-29)40-35(45)32(20-28-21-38-23-39-28)41-34(44)31(42-36(46)47-37(3,4)5)19-25-15-16-26-11-9-10-12-27(26)18-25/h9-12,15-16,18,21,23-24,29-33,43H,6-8,13-14,17,19-20,22H2,1-5H3,(H,38,39)(H,40,45)(H,41,44)(H,42,46)/t30-,31+,32+,33-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human renal renin at the pH optimum 7.4


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023028
PNG
(CHEMBL3144149 | CHEMBL42519 | {1-[1-(2-Hydroxy-1-i...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H49N5O5/c1-20(2)13-14-27(37)24(15-21(3)4)34-29(39)26(17-23-18-32-19-33-23)35-28(38)25(16-22-11-9-8-10-12-22)36-30(40)41-31(5,6)7/h8-12,18-21,24-27,37H,13-17H2,1-7H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25+,26+,27-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023032
PNG
(CHEMBL289929 | CHEMBL3144146 | {1-[1-[1-(2-Cyclohe...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1
Show InChI InChI=1S/C37H53N5O5S/c1-24(2)18-30(33(43)22-48-28-15-7-6-8-16-28)40-35(45)32(20-27-21-38-23-39-27)41-34(44)31(42-36(46)47-37(3,4)5)19-26-14-11-13-25-12-9-10-17-29(25)26/h9-14,17,21,23-24,28,30-33,43H,6-8,15-16,18-20,22H2,1-5H3,(H,38,39)(H,40,45)(H,41,44)(H,42,46)/t30-,31+,32+,33-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023034
PNG
(CHEMBL3144111 | CHEMBL40234 | {1-[1-{1-[1-Hydroxy-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)C(C)C
Show InChI InChI=1S/C30H47N5O7S/c1-19(2)13-23(26(36)17-43(40,41)20(3)4)33-28(38)25(15-22-16-31-18-32-22)34-27(37)24(14-21-11-9-8-10-12-21)35-29(39)42-30(5,6)7/h8-12,16,18-20,23-26,36H,13-15,17H2,1-7H3,(H,31,32)(H,33,38)(H,34,37)(H,35,39)/t23-,24+,25+,26-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023037
PNG
(CHEMBL297172 | CHEMBL3144144 | {1-[1-{1-[1-Hydroxy...)
Show SMILES CC(C)CCS(=O)(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H51N5O7S/c1-21(2)13-14-45(42,43)19-28(38)25(15-22(3)4)35-30(40)27(17-24-18-33-20-34-24)36-29(39)26(16-23-11-9-8-10-12-23)37-31(41)44-32(5,6)7/h8-12,18,20-22,25-28,38H,13-17,19H2,1-7H3,(H,33,34)(H,35,40)(H,36,39)(H,37,41)/t25-,26+,27+,28-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human renal renin at the pH optimum 7.4


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023041
PNG
(CHEMBL290200 | CHEMBL3144130 | {1-[1-(2-Hydroxy-1-...)
Show SMILES CC(C)CCC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H51N5O5/c1-21(2)12-11-15-28(38)25(16-22(3)4)35-30(40)27(18-24-19-33-20-34-24)36-29(39)26(17-23-13-9-8-10-14-23)37-31(41)42-32(5,6)7/h8-10,13-14,19-22,25-28,38H,11-12,15-18H2,1-7H3,(H,33,34)(H,35,40)(H,36,39)(H,37,41)/t25-,26+,27+,28-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023045
PNG
(CHEMBL295422 | CHEMBL3144147 | {1-[1-[1-(2-Cyclohe...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C33H51N5O7S/c1-22(2)16-26(29(39)20-46(43,44)25-14-10-7-11-15-25)36-31(41)28(18-24-19-34-21-35-24)37-30(40)27(17-23-12-8-6-9-13-23)38-32(42)45-33(3,4)5/h6,8-9,12-13,19,21-22,25-29,39H,7,10-11,14-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27+,28+,29-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023047
PNG
(CHEMBL295303 | CHEMBL3144118 | {1-[1-[1-(1-Hydroxy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC(C)C
Show InChI InChI=1S/C30H47N5O5S/c1-19(2)13-23(26(36)17-41-20(3)4)33-28(38)25(15-22-16-31-18-32-22)34-27(37)24(14-21-11-9-8-10-12-21)35-29(39)40-30(5,6)7/h8-12,16,18-20,23-26,36H,13-15,17H2,1-7H3,(H,31,32)(H,33,38)(H,34,37)(H,35,39)/t23-,24+,25+,26-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022367
PNG
(CHEMBL67058 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H51N5O7S/c1-22(2)46(43,44)20-29(39)26(16-23-12-8-6-9-13-23)36-31(41)28(18-25-19-34-21-35-25)37-30(40)27(17-24-14-10-7-11-15-24)38-32(42)45-33(3,4)5/h7,10-11,14-15,19,21-23,26-29,39H,6,8-9,12-13,16-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27+,28?,29-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022596
PNG
(CHEMBL14837)
Show SMILES Cl.OC(c1ncc[nH]1)c1ccc(O)c(O)c1
Show InChI InChI=1/C10H10N2O3.ClH/c13-7-2-1-6(5-8(7)14)9(15)10-11-3-4-12-10;/h1-5,9,13-15H,(H,11,12);1H
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n/an/a 2.29E+12n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Stimulatory activity against serotonin secretion (SEC).


J Med Chem 33: 1138-44 (1990)


Article DOI: 10.1021/jm00166a009
BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022592
PNG
(CHEMBL3348547 | CHEMBL72185 | {1-[1-(1-Cyclohexylm...)
Show SMILES CC(C)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O5/c1-23(2)16-17-30(40)27(18-24-12-8-6-9-13-24)37-32(42)29(20-26-21-35-22-36-26)38-31(41)28(19-25-14-10-7-11-15-25)39-33(43)44-34(3,4)5/h7,10-11,14-15,21-24,27-30,40H,6,8-9,12-13,16-20H2,1-5H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,28-,29-,30-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair