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PubMed code 3305947

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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))		BDBM50023054
PNG
(CHEMBL291091 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H60F2N6O8/c1-28(2)23-33(38(55)46(47,48)43(60)53-35(24-29(3)4)40(57)51-34(39(49)56)25-30-17-11-8-12-18-30)50-41(58)36(26-31-19-13-9-14-20-31)52-42(59)37(27-32-21-15-10-16-22-32)54-44(61)62-45(5,6)7/h8-22,28-29,33-37H,23-27H2,1-7H3,(H2,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)/t33-,34-,35-,36-,37-/m0/s1
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 7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50023050
PNG
(CHEMBL40928 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H64N6O8/c1-29(2)23-34(39(53)28-40(54)48-36(24-30(3)4)42(56)50-35(41(47)55)25-31-17-11-8-12-18-31)49-43(57)37(26-32-19-13-9-14-20-32)51-44(58)38(27-33-21-15-10-16-22-33)52-45(59)60-46(5,6)7/h8-22,29-30,34-39,53H,23-28H2,1-7H3,(H2,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,52,59)/t34-,35-,36-,37-,38-,39-/m0/s1
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 52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50023053
PNG
(CHEMBL44075 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H62F2N6O8/c1-28(2)23-33(38(55)46(47,48)43(60)53-35(24-29(3)4)40(57)51-34(39(49)56)25-30-17-11-8-12-18-30)50-41(58)36(26-31-19-13-9-14-20-31)52-42(59)37(27-32-21-15-10-16-22-32)54-44(61)62-45(5,6)7/h8-22,28-29,33-38,55H,23-27H2,1-7H3,(H2,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)/t33-,34-,35-,36-,37-,38+/m0/s1
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 120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50023051
PNG
(CHEMBL40514 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H62N6O8/c1-29(2)23-34(39(53)28-40(54)48-36(24-30(3)4)42(56)50-35(41(47)55)25-31-17-11-8-12-18-31)49-43(57)37(26-32-19-13-9-14-20-32)51-44(58)38(27-33-21-15-10-16-22-33)52-45(59)60-46(5,6)7/h8-22,29-30,34-38H,23-28H2,1-7H3,(H2,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,52,59)/t34-,35-,36-,37-,38-/m0/s1
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 154n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50023052
PNG
(2-Benzyl-5-{4-[2-(2-tert-butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](CC(C)C)NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C48H62F2N4O8/c1-31(2)26-37(25-24-36(44(58)61-8)28-33-18-12-9-13-19-33)51-45(59)48(49,50)41(55)38(27-32(3)4)52-42(56)39(29-34-20-14-10-15-21-34)53-43(57)40(30-35-22-16-11-17-23-35)54-46(60)62-47(5,6)7/h9-25,31-32,36-40H,26-30H2,1-8H3,(H,51,59)(H,52,56)(H,53,57)(H,54,60)/b25-24+/t36-,37+,38-,39-,40-/m0/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50023056
PNG
(CHEMBL290282 | [1-Benzyl-4-(1-{2-[1-(1-carbamoyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H63F2N5O7/c1-30(2)25-37(40(55)47(48,49)44(59)54-39(26-31(3)4)43(58)53-38(41(50)56)29-34-21-15-10-16-22-34)52-42(57)35(27-32-17-11-8-12-18-32)23-24-36(28-33-19-13-9-14-20-33)51-45(60)61-46(5,6)7/h8-24,30-31,35-40,55H,25-29H2,1-7H3,(H2,50,56)(H,51,60)(H,52,57)(H,53,58)(H,54,59)/b24-23+/t35-,36+,37-,38-,39-,40+/m0/s1
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 1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50023055
PNG
(2-Benzyl-5-{4-[2-(2-tert-butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](CC(C)C)NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C48H64F2N4O8/c1-31(2)26-37(25-24-36(44(58)61-8)28-33-18-12-9-13-19-33)51-45(59)48(49,50)41(55)38(27-32(3)4)52-42(56)39(29-34-20-14-10-15-21-34)53-43(57)40(30-35-22-16-11-17-23-35)54-46(60)62-47(5,6)7/h9-25,31-32,36-41,55H,26-30H2,1-8H3,(H,51,59)(H,52,56)(H,53,57)(H,54,60)/b25-24+/t36-,37+,38-,39-,40-,41+/m0/s1
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 1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%