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142 similar compounds to monomer 50025946

Compile data set for download or QSAR
Wt: 3125.5
BDBM50000743
Wt: 819.0
BDBM50022040
Wt: 1181.3
BDBM50022000
Wt: 761.9
BDBM50016033
Wt: 1052.2
BDBM50405191
Wt: 1169.3
BDBM50022977
Wt: 789.9
BDBM50022995
Wt: 1169.3
BDBM50367718
Wt: 1050.2
BDBM50367764
Wt: 1331.5
BDBM50022018
Wt: 1084.2
BDBM50367760
Wt: 674.8
BDBM50002966
Wt: 686.8
BDBM50008522
Wt: 710.9
BDBM50006194
Wt: 656.8
BDBM50006202
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Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 50000743,50022040,50022000,50016033,50405191,50022977,50022995,50367718,50367764,50022018,50367760,50002966,50008522,50006194,50006202   
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
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
Reactome pathway

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
Reactome pathway

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
RAMP1


(PIG)
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.70n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of rabbit plasma renin.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
CGRP


(PIG)
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.60n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016033
PNG
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of porcine pepsin.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016033
PNG
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1
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55n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, radioimmunoassay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016033
PNG
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1
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70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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115n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of rat plasma renin at pH of 6.0.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022040
PNG
(CHEMBL3085571 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phen...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C43H62N8O8/c1-26(2)18-31(36(52)23-37(53)47-33(19-27(3)4)39(55)49-32(38(44)54)20-28-14-10-8-11-15-28)48-41(57)35(22-30-24-45-25-46-30)50-40(56)34(21-29-16-12-9-13-17-29)51-42(58)59-43(5,6)7/h8-17,24-27,31-36,52H,18-23H2,1-7H3,(H2,44,54)(H,45,46)(H,47,53)(H,48,57)(H,49,55)(H,50,56)(H,51,58)/t31-,32-,33-,34-,35-,36-/s2
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus chinensis)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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200n/an/an/an/an/an/a7.4n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rhizopuspepsin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of rabbit liver cathepsin D.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Rhizopus chinensis)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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630n/an/an/an/an/an/a7.4n/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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5.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Angiotensin I converting enzyme


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane prep...


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type alpha receptor binding sites in rat brain membrane


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002966
PNG
(CHEMBL115430 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C37H50N6O6/c1-37(2,3)49-36(48)43-30(20-26-15-9-5-10-16-26)34(46)42-31(21-28-23-38-24-39-28)35(47)41-29(19-25-13-7-4-8-14-25)32(44)22-33(45)40-27-17-11-6-12-18-27/h5-6,9-12,15-18,23-25,29-32,44H,4,7-8,13-14,19-22H2,1-3H3,(H,38,39)(H,40,45)(H,41,47)(H,42,46)(H,43,48)/t29?,30-,31-,32?/m0/s1
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n/an/a 190n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50008522
PNG
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)
Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C35H54N6O8/c36-24-13-11-23(12-14-24)33(47)40-27(16-22-9-5-2-6-10-22)34(48)41-28(17-25-18-37-20-38-25)35(49)39-26(15-21-7-3-1-4-8-21)30(44)32(46)31(45)29(43)19-42/h2,5-6,9-10,18,20-21,23-24,26-32,42-46H,1,3-4,7-8,11-17,19,36H2,(H,37,38)(H,39,49)(H,40,47)(H,41,48)/t23-,24+,26-,27-,28?,29+,30+,31+,32+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human kidney renin


J Med Chem 35: 559-67 (1992)


Article DOI: 10.1021/jm00081a019
BindingDB Entry DOI: 10.7270/Q24748TV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006194
PNG
(CHEMBL48481 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CCCCC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C39H62N6O6/c1-7-8-19-35(47)42-30(26(2)3)23-34(46)31(20-27-15-11-9-12-16-27)43-37(49)33(22-29-24-40-25-41-29)44-36(48)32(21-28-17-13-10-14-18-28)45-38(50)51-39(4,5)6/h10,13-14,17-18,24-27,30-34,46H,7-9,11-12,15-16,19-23H2,1-6H3,(H,40,41)(H,42,47)(H,43,49)(H,44,48)(H,45,50)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 200n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


Article DOI: 10.1021/jm00088a007
BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 2.30n/an/an/an/a7.7n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against renin in monkey plasma at pH 7.7


J Med Chem 35: 1735-46 (1992)


Article DOI: 10.1021/jm00088a007
BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016033
PNG
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 838-45 (1990)


Article DOI: 10.1021/jm00164a058
BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016033
PNG
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human plasma renin


J Med Chem 31: 1918-23 (1988)


Article DOI: 10.1021/jm00118a009
BindingDB Entry DOI: 10.7270/Q24Q7T14
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022040
PNG
(CHEMBL3085571 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phen...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C43H62N8O8/c1-26(2)18-31(36(52)23-37(53)47-33(19-27(3)4)39(55)49-32(38(44)54)20-28-14-10-8-11-15-28)48-41(57)35(22-30-24-45-25-46-30)50-40(56)34(21-29-16-12-9-13-17-29)51-42(58)59-43(5,6)7/h8-17,24-27,31-36,52H,18-23H2,1-7H3,(H2,44,54)(H,45,46)(H,47,53)(H,48,57)(H,49,55)(H,50,56)(H,51,58)/t31-,32-,33-,34-,35-,36-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human plasma renin


J Med Chem 31: 1918-23 (1988)


Article DOI: 10.1021/jm00118a009
BindingDB Entry DOI: 10.7270/Q24Q7T14
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from New Zealand white rabbits


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/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 potency on plasma renin obtained from Sprague-Dawley rats


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from Sprague-Dawley rats


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022995
PNG
(CHEMBL2371849 | Pro-His-Pro-Phe-His-StatineNH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C39H55N11O7/c1-23(2)14-28(33(51)18-34(40)52)46-37(55)30(16-25-19-41-21-44-25)47-36(54)29(15-24-8-4-3-5-9-24)48-38(56)32-11-7-13-50(32)39(57)31(17-26-20-42-22-45-26)49-35(53)27-10-6-12-43-27/h3-5,8-9,19-23,27-33,43,51H,6-7,10-18H2,1-2H3,(H2,40,52)(H,41,44)(H,42,45)(H,46,55)(H,47,54)(H,48,56)(H,49,53)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 14n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
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n/an/a 4.90n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


J Med Chem 51: 7889-97 (2008)


Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C
More data for this
Ligand-Target Pair
ADM2


(Homo sapiens (Human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/s2
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n/an/a 266n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


J Med Chem 51: 7889-97 (2008)


Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D.


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for the percent inhibition of pepsin


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 14n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 33: 1962-9 (1990)


Article DOI: 10.1021/jm00169a024
BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for the percent inhibition of Cathepsin D in Bovine


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50367718
PNG
(CHEMBL3037868)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40+,41-,42-,43-,44-,45-,46-,47?,49-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against renin from lyophilized human plasma


J Med Chem 31: 1377-82 (1988)


Article DOI: 10.1021/jm00402a022
BindingDB Entry DOI: 10.7270/Q2T43TN1
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50367760
PNG
(CHEMBL2367544)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H73N13O9/c1-3-35(2)50(56(78)65-43(51(58)73)26-37-17-9-5-10-18-37)69-49(72)30-48(71)42(25-36-15-7-4-8-16-36)64-54(76)45(28-39-31-59-33-62-39)66-53(75)44(27-38-19-11-6-12-20-38)67-55(77)47-22-14-24-70(47)57(79)46(29-40-32-60-34-63-40)68-52(74)41-21-13-23-61-41/h4-12,15-20,31-35,41-48,50,61,71H,3,13-14,21-30H2,1-2H3,(H2,58,73)(H,59,62)(H,60,63)(H,64,76)(H,65,78)(H,66,75)(H,67,77)(H,68,74)(H,69,72)/t35-,41+,42-,43-,44-,45-,46-,47+,48-,50-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50367764
PNG
(CHEMBL264339)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022018
PNG
(CHEMBL2372761 | Pro-His-Pro-Phe-His-Statine-Tyr-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H90N16O14/c1-38(2)26-48(56(86)32-57(87)74-49(28-40-15-19-44(84)20-16-40)60(90)77-50(29-41-17-21-45(85)22-18-41)62(92)81-54(35-83)64(94)75-46(58(68)88)12-6-7-23-67)76-63(93)52(30-42-33-69-36-72-42)78-61(91)51(27-39-10-4-3-5-11-39)79-65(95)55-14-9-25-82(55)66(96)53(31-43-34-70-37-73-43)80-59(89)47-13-8-24-71-47/h3-5,10-11,15-22,33-34,36-38,46-56,71,83-86H,6-9,12-14,23-32,35,67H2,1-2H3,(H2,68,88)(H,69,72)(H,70,73)(H,74,87)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H,80,89)(H,81,92)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50008522
PNG
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)
Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C35H54N6O8/c36-24-13-11-23(12-14-24)33(47)40-27(16-22-9-5-2-6-10-22)34(48)41-28(17-25-18-37-20-38-25)35(49)39-26(15-21-7-3-1-4-8-21)30(44)32(46)31(45)29(43)19-42/h2,5-6,9-10,18,20-21,23-24,26-32,42-46H,1,3-4,7-8,11-17,19,36H2,(H,37,38)(H,39,49)(H,40,47)(H,41,48)/t23-,24+,26-,27-,28?,29+,30+,31+,32+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of sheep plasma renin


J Med Chem 35: 559-67 (1992)


Article DOI: 10.1021/jm00081a019
BindingDB Entry DOI: 10.7270/Q24748TV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022040
PNG
(CHEMBL3085571 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phen...)
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)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C43H62N8O8/c1-26(2)18-31(36(52)23-37(53)47-33(19-27(3)4)39(55)49-32(38(44)54)20-28-14-10-8-11-15-28)48-41(57)35(22-30-24-45-25-46-30)50-40(56)34(21-29-16-12-9-13-17-29)51-42(58)59-43(5,6)7/h8-17,24-27,31-36,52H,18-23H2,1-7H3,(H2,44,54)(H,45,46)(H,47,53)(H,48,57)(H,49,55)(H,50,56)(H,51,58)/t31-,32-,33-,34-,35-,36-/s2
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human kidney renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(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/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human kidney renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
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