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Compile Data Set for Download or QSAR

Found 18 hits from Ciba-Geigy Pharmaceuticals Division   
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))
BDBM50017800
PNG
(CHEMBL298299 | {[1-(2-{4-[3-(2-Benzyloxycarbonylam...)
Show SMILES COC(=O)CP(O)(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NCC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C43H62N7O11P/c1-27(2)17-33(36(51)21-38(53)47-29(5)41(55)50-39(18-28(3)4)62(58,59)25-40(54)60-6)45-23-37(52)34(20-32-22-44-26-46-32)48-42(56)35(19-30-13-9-7-10-14-30)49-43(57)61-24-31-15-11-8-12-16-31/h7-16,22,26-29,33-36,39,45,51H,17-21,23-25H2,1-6H3,(H,44,46)(H,47,53)(H,48,56)(H,49,57)(H,50,55)(H,58,59)/t29?,33?,34-,35-,36?,39?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017804
PNG
(CHEMBL437235 | H-Pro-His-Pro-Phe-His-LeuP(CH2)Val-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N16O12P/c1-7-37(6)51(58(83)72-46(25-39-28-62-32-66-39)55(80)69-44(60(85)86)17-11-12-20-61)75-52(77)42(36(4)5)31-89(87,88)50(23-35(2)3)74-56(81)47(26-40-29-63-33-67-40)70-54(79)45(24-38-15-9-8-10-16-38)71-57(82)49-19-14-22-76(49)59(84)48(27-41-30-64-34-68-41)73-53(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65H,7,11-14,17-27,31,61H2,1-6H3,(H,62,66)(H,63,67)(H,64,68)(H,69,80)(H,70,79)(H,71,82)(H,72,83)(H,73,78)(H,74,81)(H,75,77)(H,85,86)(H,87,88)/t37-,42?,43+,44-,45-,46-,47-,48-,49+,50?,51-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017798
PNG
(CHEMBL405365 | Z-Arg-Arg-Pro-Phe-His-LeuP(CH2)Val-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C63H96N19O12P/c1-7-39(6)52(59(89)76-47(53(64)83)29-42-31-69-35-73-42)81-54(84)44(38(4)5)34-95(92,93)51(27-37(2)3)80-57(87)49(30-43-32-70-36-74-43)77-56(86)48(28-40-17-10-8-11-18-40)78-58(88)50-23-16-26-82(50)60(90)46(22-15-25-72-62(67)68)75-55(85)45(21-14-24-71-61(65)66)79-63(91)94-33-41-19-12-9-13-20-41/h8-13,17-20,31-32,35-39,44-52H,7,14-16,21-30,33-34H2,1-6H3,(H2,64,83)(H,69,73)(H,70,74)(H,75,85)(H,76,89)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,81,84)(H,92,93)(H4,65,66,71)(H4,67,68,72)/t39-,44?,45?,46?,47-,48-,49-,50+,51?,52-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017801
PNG
(CHEMBL437247 | Z-Pro-Phe-His-LeuP(CH2)Val-Ile-His-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C51H72N11O10P/c1-7-33(6)44(50(68)57-39(45(52)63)23-36-25-53-29-55-36)61-46(64)38(32(4)5)28-73(70,71)43(21-31(2)3)60-48(66)41(24-37-26-54-30-56-37)58-47(65)40(22-34-15-10-8-11-16-34)59-49(67)42-19-14-20-62(42)51(69)72-27-35-17-12-9-13-18-35/h8-13,15-18,25-26,29-33,38-44H,7,14,19-24,27-28H2,1-6H3,(H2,52,63)(H,53,55)(H,54,56)(H,57,68)(H,58,65)(H,59,67)(H,60,66)(H,61,64)(H,70,71)/t33-,38?,39-,40-,41-,42+,43?,44-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017810
PNG
(CHEMBL430062 | {1-[2-[2-(2-Benzyloxycarbonylamino-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C48H68N11O10P/c1-7-31(6)42(47(65)56-37(43(49)61)20-34-22-50-27-53-34)59-44(62)36(30(4)5)26-70(67,68)41(18-29(2)3)58-46(64)39(21-35-23-51-28-54-35)57-45(63)38(19-32-14-10-8-11-15-32)55-40(60)24-52-48(66)69-25-33-16-12-9-13-17-33/h8-17,22-23,27-31,36-39,41-42H,7,18-21,24-26H2,1-6H3,(H2,49,61)(H,50,53)(H,51,54)(H,52,66)(H,55,60)(H,56,65)(H,57,63)(H,58,64)(H,59,62)(H,67,68)/t31-,36?,37-,38-,39-,41?,42-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017799
PNG
(CHEMBL427576 | Z-Pro-Phe-His-LeuP(CH2)Val-Ala-Sta-...)
Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C51H75N8O12P/c1-31(2)22-39(43(60)26-45(61)70-8)55-46(62)34(7)54-47(63)38(33(5)6)29-72(68,69)44(23-32(3)4)58-49(65)41(25-37-27-52-30-53-37)56-48(64)40(24-35-16-11-9-12-17-35)57-50(66)42-20-15-21-59(42)51(67)71-28-36-18-13-10-14-19-36/h9-14,16-19,27,30-34,38-44,60H,15,20-26,28-29H2,1-8H3,(H,52,53)(H,54,63)(H,55,62)(H,56,64)(H,57,66)(H,58,65)(H,68,69)/t34-,38?,39-,40-,41-,42+,43?,44?/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017795
PNG
(CHEMBL296784 | {1-[2-(2-Benzyloxycarbonylamino-3-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C46H65N10O9P/c1-7-30(6)40(45(61)52-36(41(47)57)20-33-22-48-26-50-33)56-42(58)35(29(4)5)25-66(63,64)39(18-28(2)3)55-44(60)38(21-34-23-49-27-51-34)53-43(59)37(19-31-14-10-8-11-15-31)54-46(62)65-24-32-16-12-9-13-17-32/h8-17,22-23,26-30,35-40H,7,18-21,24-25H2,1-6H3,(H2,47,57)(H,48,50)(H,49,51)(H,52,61)(H,53,59)(H,54,62)(H,55,60)(H,56,58)(H,63,64)/t30-,35+,36-,37-,38-,39?,40-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017803
PNG
(CHEMBL431526 | {1-[2-(2-Benzyloxycarbonylamino-3-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H67N8O9P/c1-7-33(6)43(48(62)53-39(44(50)58)24-34-17-11-8-12-18-34)57-45(59)38(32(4)5)29-67(64,65)42(23-31(2)3)56-47(61)41(26-37-27-51-30-52-37)54-46(60)40(25-35-19-13-9-14-20-35)55-49(63)66-28-36-21-15-10-16-22-36/h8-22,27,30-33,38-43H,7,23-26,28-29H2,1-6H3,(H2,50,58)(H,51,52)(H,53,62)(H,54,60)(H,55,63)(H,56,61)(H,57,59)(H,64,65)/t33-,38?,39-,40-,41-,42?,43-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017802
PNG
(CHEMBL294985 | {1-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C46H69N8O9P/c1-10-30(6)39(44(59)50-35(40(47)55)24-33-25-48-27-49-33)54-41(56)34(29(4)5)26-64(61,62)38(21-28(2)3)53-43(58)36(22-31-17-13-11-14-18-31)51-42(57)37(23-32-19-15-12-16-20-32)52-45(60)63-46(7,8)9/h11-20,25,27-30,34-39H,10,21-24,26H2,1-9H3,(H2,47,55)(H,48,49)(H,50,59)(H,51,57)(H,52,60)(H,53,58)(H,54,56)(H,61,62)/t30-,34?,35-,36-,37-,38?,39-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017796
PNG
(2-{1-[2-(3H-Imidazol-4-yl)-1-(3-methyl-1-phosphono...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C33H43N6O8P/c1-22(2)16-29(48(44,45)46)38-31(41)27(18-25-19-34-21-35-25)36-30(40)26(17-23-10-5-3-6-11-23)37-32(42)28-14-9-15-39(28)33(43)47-20-24-12-7-4-8-13-24/h3-8,10-13,19,21-22,26-29H,9,14-18,20H2,1-2H3,(H,34,35)(H,36,40)(H,37,42)(H,38,41)(H2,44,45,46)/t26-,27-,28+,29?/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017807
PNG
(CHEMBL264076 | Z-Arg-Arg-Pro-Phe-His-LeuP(CH2)Gly-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CCP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C60H90N19O12P/c1-5-37(4)50(56(86)73-44(51(61)81)29-40-31-66-34-70-40)77-48(80)22-26-92(89,90)49(27-36(2)3)78-54(84)46(30-41-32-67-35-71-41)74-53(83)45(28-38-15-8-6-9-16-38)75-55(85)47-21-14-25-79(47)57(87)43(20-13-24-69-59(64)65)72-52(82)42(19-12-23-68-58(62)63)76-60(88)91-33-39-17-10-7-11-18-39/h6-11,15-18,31-32,34-37,42-47,49-50H,5,12-14,19-30,33H2,1-4H3,(H2,61,81)(H,66,70)(H,67,71)(H,72,82)(H,73,86)(H,74,83)(H,75,85)(H,76,88)(H,77,80)(H,78,84)(H,89,90)(H4,62,63,68)(H4,64,65,69)/t37-,42?,43?,44-,45-,46-,47+,49?,50-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017809
PNG
(CHEMBL47257 | {1-[2-(2-Benzyloxycarbonylamino-3-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C42H57N10O9P/c1-5-27(4)37(41(57)48-32(38(43)54)18-30-20-44-24-46-30)51-35(53)23-62(59,60)36(16-26(2)3)52-40(56)34(19-31-21-45-25-47-31)49-39(55)33(17-28-12-8-6-9-13-28)50-42(58)61-22-29-14-10-7-11-15-29/h6-15,20-21,24-27,32-34,36-37H,5,16-19,22-23H2,1-4H3,(H2,43,54)(H,44,46)(H,45,47)(H,48,57)(H,49,55)(H,50,58)(H,51,53)(H,52,56)(H,59,60)/t27-,32-,33-,34-,36?,37-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017808
PNG
(CHEMBL405817 | {1-[2-[(2-tert-Butoxycarbonylamino-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H69N10O9P/c1-11-28(6)37(41(58)50-33(38(45)55)19-30-21-46-24-48-30)53-39(56)32(27(4)5)23-64(61,62)36(17-26(2)3)52-40(57)35(20-31-22-47-25-49-31)54(10)42(59)34(18-29-15-13-12-14-16-29)51-43(60)63-44(7,8)9/h12-16,21-22,24-28,32-37H,11,17-20,23H2,1-10H3,(H2,45,55)(H,46,48)(H,47,49)(H,50,58)(H,51,60)(H,52,57)(H,53,56)(H,61,62)/t28-,32?,33-,34-,35-,36?,37-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017805
PNG
(2-{1-[1-(1-Hydroxyphosphinoyl-3-methyl-butylcarbam...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)P(O)=O
Show InChI InChI=1S/C33H43N6O7P/c1-22(2)16-29(47(44)45)38-31(41)27(18-25-19-34-21-35-25)36-30(40)26(17-23-10-5-3-6-11-23)37-32(42)28-14-9-15-39(28)33(43)46-20-24-12-7-4-8-13-24/h3-8,10-13,19,21-22,26-29,47H,9,14-18,20H2,1-2H3,(H,34,35)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t26-,27-,28+,29?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017806
PNG
(2-[(1-{4-[2-(2-Benzyloxycarbonylamino-3-phenyl-pro...)
Show SMILES COC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H63N6O10P/c1-27(2)18-34(37(50)22-38(51)49-39(19-28(3)4)60(56,57)25-33(29(5)6)42(54)58-7)46-41(53)36(21-32-23-44-26-45-32)47-40(52)35(20-30-14-10-8-11-15-30)48-43(55)59-24-31-16-12-9-13-17-31/h8-17,23,26-29,33-37,39,50H,18-22,24-25H2,1-7H3,(H,44,45)(H,46,53)(H,47,52)(H,48,55)(H,49,51)(H,56,57)/t33?,34?,35-,36-,37?,39?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017797
PNG
((1-{2-[(2-tert-Butoxycarbonylamino-3-phenyl-propio...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C47H71N8O9P/c1-11-31(6)40(44(59)51-36(41(48)56)25-34-26-49-28-50-34)54-42(57)35(30(4)5)27-65(62,63)39(22-29(2)3)53-43(58)38(24-33-20-16-13-17-21-33)55(10)45(60)37(23-32-18-14-12-15-19-32)52-46(61)64-47(7,8)9/h12-21,26,28-31,35-40H,11,22-25,27H2,1-10H3,(H2,48,56)(H,49,50)(H,51,59)(H,52,61)(H,53,58)(H,54,57)(H,62,63)/t31-,35?,36-,37-,38-,39?,40-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017793
PNG
(2-{2-[2-({1-[2-(2-Benzyloxycarbonylamino-3-phenyl-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C50H77N10O10P/c1-10-33(6)42(46(64)56-38(22-17-23-54-48(51)52)47(65)70-50(7,8)9)60-43(61)37(32(4)5)29-71(67,68)41(24-31(2)3)59-45(63)40(26-36-27-53-30-55-36)57-44(62)39(25-34-18-13-11-14-19-34)58-49(66)69-28-35-20-15-12-16-21-35/h11-16,18-21,27,30-33,37-42H,10,17,22-26,28-29H2,1-9H3,(H,53,55)(H,56,64)(H,57,62)(H,58,66)(H,59,63)(H,60,61)(H,67,68)(H4,51,52,54)/t33-,37?,38?,39-,40-,41?,42-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50017794
PNG
(CHEMBL297186 | {1-[2-(2-Benzyloxycarbonylamino-3-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CCP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C43H59N10O9P/c1-5-28(4)38(42(58)49-33(39(44)55)20-31-22-45-25-47-31)52-36(54)16-17-63(60,61)37(18-27(2)3)53-41(57)35(21-32-23-46-26-48-32)50-40(56)34(19-29-12-8-6-9-13-29)51-43(59)62-24-30-14-10-7-11-15-30/h6-15,22-23,25-28,33-35,37-38H,5,16-21,24H2,1-4H3,(H2,44,55)(H,45,47)(H,46,48)(H,49,58)(H,50,56)(H,51,59)(H,52,54)(H,53,57)(H,60,61)/t28-,33-,34-,35-,37?,38-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ciba-Geigy Pharmaceuticals Division

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined


J Med Chem 32: 1652-61 (1989)


Article DOI: 10.1021/jm00127a041
BindingDB Entry DOI: 10.7270/Q20G3J40
More data for this
Ligand-Target Pair