new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'cortes' and Initial = 'c'   
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
Apelin


(Homo sapiens (Human))
BDBM50009575
PNG
(CHEMBL3234446)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


J Med Chem 57: 2908-19 (2014)


Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50009575
PNG
(CHEMBL3234446)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0530n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257221
PNG
(CHEMBL4059998)
Show InChI InChI=1/C70H111BrN22O16/c1-7-8-15-44(60(101)90-70(4,5)67(109)89-49(66(107)108)33-40-21-23-41(71)24-22-40)84-61(102)51-19-13-30-92(51)55(96)36-80-56(97)43(16-9-10-27-72)83-58(99)48(34-42-35-77-38-81-42)87-59(100)50(37-94)88-63(104)53(32-39(2)3)91(6)64(105)46(17-11-28-78-68(73)74)86-62(103)52-20-14-31-93(52)65(106)47(18-12-29-79-69(75)76)85-57(98)45-25-26-54(95)82-45/h21-24,35,38-39,43-53,94H,7-20,25-34,36-37,72H2,1-6H3,(H,77,81)(H,80,97)(H,82,95)(H,83,99)(H,84,102)(H,85,98)(H,86,103)(H,87,100)(H,88,104)(H,89,109)(H,90,101)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257220
PNG
(CHEMBL4075830)
Show InChI InChI=1/C69H109BrN22O16/c1-6-7-14-44(61(102)90-69(4,5)66(108)89-49(65(106)107)32-39-20-22-40(70)23-21-39)84-62(103)51-18-12-29-91(51)54(95)35-79-55(96)42(15-8-9-26-71)82-59(100)48(33-41-34-76-37-80-41)87-60(101)50(36-93)88-58(99)47(31-38(2)3)86-56(97)43(16-10-27-77-67(72)73)83-63(104)52-19-13-30-92(52)64(105)46(17-11-28-78-68(74)75)85-57(98)45-24-25-53(94)81-45/h20-23,34,37-38,42-52,93H,6-19,24-33,35-36,71H2,1-5H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,104)(H,84,103)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,108)(H,90,102)(H,106,107)(H4,72,73,77)(H4,74,75,78)/t42-,43-,44-,45-,46-,47+,48-,49-,50-,51-,52-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257228
PNG
(CHEMBL4077740)
Show InChI InChI=1/C68H108BrN23O16/c1-6-7-14-43(58(100)88-68(4,5)64(107)86-48(63(105)106)31-39-20-22-40(69)23-21-39)82-60(102)50-18-12-29-90(50)53(95)34-78-54(96)42(15-8-9-26-70)81-56(98)47(32-41-33-75-37-79-41)85-57(99)49(36-93)87-67(108)92(35-38(2)3)89-59(101)44(16-10-27-76-65(71)72)83-61(103)51-19-13-30-91(51)62(104)46(17-11-28-77-66(73)74)84-55(97)45-24-25-52(94)80-45/h20-23,33,37-38,42-51,93H,6-19,24-32,34-36,70H2,1-5H3,(H,75,79)(H,78,96)(H,80,94)(H,81,98)(H,82,102)(H,83,103)(H,84,97)(H,85,99)(H,86,107)(H,87,108)(H,88,100)(H,89,101)(H,105,106)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.130n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257251
PNG
(CHEMBL4069459)
Show InChI InChI=1/C97H159BrN34O20/c1-7-8-25-64(85(145)129-96(4,5)90(151)128-70(89(149)150)49-57-32-34-58(98)35-33-57)122-86(146)72-30-19-45-131(72)75(135)52-116-77(137)61(26-13-15-40-100)118-83(143)69(50-59-51-111-54-117-59)125-84(144)71(53-133)126-81(141)67(47-55(2)3)127-91(152)97(6,38-21-44-115-95(109)110)130-87(147)73-31-20-46-132(73)88(148)66(29-18-43-114-94(107)108)123-80(140)65(36-37-74(102)134)121-79(139)62(27-16-41-112-92(103)104)119-78(138)63(28-17-42-113-93(105)106)120-82(142)68(48-56-22-10-9-11-23-56)124-76(136)60(101)24-12-14-39-99/h9-11,22-23,32-35,51,54-55,60-73,133H,7-8,12-21,24-31,36-50,52-53,99-101H2,1-6H3,(H2,102,134)(H,111,117)(H,116,137)(H,118,143)(H,119,138)(H,120,142)(H,121,139)(H,122,146)(H,123,140)(H,124,136)(H,125,144)(H,126,141)(H,127,152)(H,128,151)(H,129,145)(H,130,147)(H,149,150)(H4,103,104,112)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,97-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.130n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257219
PNG
(CHEMBL4059541)
Show InChI InChI=1/C95H156BrN35O20/c1-6-7-24-63(84(144)127-95(4,5)89(150)125-69(88(148)149)48-56-31-33-57(96)34-32-56)120-85(145)71-29-18-43-129(71)74(134)51-114-76(136)60(25-12-14-38-98)116-82(142)68(49-58-50-109-53-115-58)123-83(143)70(52-132)124-80(140)66(46-54(2)3)126-94(151)131(45-20-42-113-93(107)108)128-86(146)72-30-19-44-130(72)87(147)65(28-17-41-112-92(105)106)121-79(139)64(35-36-73(100)133)119-78(138)61(26-15-39-110-90(101)102)117-77(137)62(27-16-40-111-91(103)104)118-81(141)67(47-55-21-9-8-10-22-55)122-75(135)59(99)23-11-13-37-97/h8-10,21-22,31-34,50,53-54,59-72,132H,6-7,11-20,23-30,35-49,51-52,97-99H2,1-5H3,(H2,100,133)(H,109,115)(H,114,136)(H,116,142)(H,117,137)(H,118,141)(H,119,138)(H,120,145)(H,121,139)(H,122,135)(H,123,143)(H,124,140)(H,125,150)(H,126,151)(H,127,144)(H,128,146)(H,148,149)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257230
PNG
(CHEMBL4076754)
Show InChI InChI=1/C96H157BrN34O20/c1-6-7-24-64(86(145)129-96(4,5)91(151)128-70(90(149)150)48-56-32-34-57(97)35-33-56)122-87(146)72-30-19-44-130(72)75(134)51-115-77(136)60(25-12-14-39-99)117-84(143)69(49-58-50-110-53-116-58)126-85(144)71(52-132)127-82(141)67(46-54(2)3)125-80(139)63(28-17-42-113-94(106)107)121-88(147)73-31-20-45-131(73)89(148)66(29-18-43-114-95(108)109)123-81(140)65(36-37-74(101)133)120-79(138)61(26-15-40-111-92(102)103)118-78(137)62(27-16-41-112-93(104)105)119-83(142)68(47-55-21-9-8-10-22-55)124-76(135)59(100)23-11-13-38-98/h8-10,21-22,32-35,50,53-54,59-73,132H,6-7,11-20,23-31,36-49,51-52,98-100H2,1-5H3,(H2,101,133)(H,110,116)(H,115,136)(H,117,143)(H,118,137)(H,119,142)(H,120,138)(H,121,147)(H,122,146)(H,123,140)(H,124,135)(H,125,139)(H,126,144)(H,127,141)(H,128,151)(H,129,145)(H,149,150)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257252
PNG
(CHEMBL4076953)
Show InChI InChI=1/C95H156BrN35O20/c1-6-7-24-63(83(143)127-95(4,5)89(150)125-69(88(148)149)47-56-32-34-57(96)35-33-56)120-85(145)71-30-19-44-129(71)74(134)50-114-76(136)60(25-12-14-39-98)116-81(141)68(48-58-49-109-53-115-58)124-82(142)70(52-132)126-94(151)131(51-54(2)3)128-84(144)64(28-17-42-112-92(105)106)121-86(146)72-31-20-45-130(72)87(147)66(29-18-43-113-93(107)108)122-79(139)65(36-37-73(100)133)119-78(138)61(26-15-40-110-90(101)102)117-77(137)62(27-16-41-111-91(103)104)118-80(140)67(46-55-21-9-8-10-22-55)123-75(135)59(99)23-11-13-38-97/h8-10,21-22,32-35,49,53-54,59-72,132H,6-7,11-20,23-31,36-48,50-52,97-99H2,1-5H3,(H2,100,133)(H,109,115)(H,114,136)(H,116,141)(H,117,137)(H,118,140)(H,119,138)(H,120,145)(H,121,146)(H,122,139)(H,123,135)(H,124,142)(H,125,150)(H,126,151)(H,127,143)(H,128,144)(H,148,149)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257234
PNG
(CHEMBL4103607)
Show InChI InChI=1/C70H111BrN22O16/c1-7-8-15-44(59(101)90-69(4,5)65(108)88-49(64(106)107)32-40-21-23-41(71)24-22-40)84-61(103)51-19-13-30-92(51)54(96)36-80-55(97)43(16-9-10-27-72)83-57(99)48(33-42-35-77-38-81-42)87-58(100)50(37-94)89-66(109)70(6,34-39(2)3)91-60(102)45(17-11-28-78-67(73)74)85-62(104)52-20-14-31-93(52)63(105)47(18-12-29-79-68(75)76)86-56(98)46-25-26-53(95)82-46/h21-24,35,38-39,43-52,94H,7-20,25-34,36-37,72H2,1-6H3,(H,77,81)(H,80,97)(H,82,95)(H,83,99)(H,84,103)(H,85,104)(H,86,98)(H,87,100)(H,88,108)(H,89,109)(H,90,101)(H,91,102)(H,106,107)(H4,73,74,78)(H4,75,76,79)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,70-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257232
PNG
(CHEMBL4061039)
Show InChI InChI=1/C97H159BrN34O20/c1-7-8-25-64(84(144)129-96(4,5)90(151)127-70(89(149)150)48-57-33-35-58(98)36-34-57)122-86(146)72-31-20-45-131(72)75(135)52-116-77(137)61(26-13-15-40-100)118-82(142)69(49-59-51-111-54-117-59)126-83(143)71(53-133)128-91(152)97(6,50-55(2)3)130-85(145)65(29-18-43-114-94(107)108)123-87(147)73-32-21-46-132(73)88(148)67(30-19-44-115-95(109)110)124-80(140)66(37-38-74(102)134)121-79(139)62(27-16-41-112-92(103)104)119-78(138)63(28-17-42-113-93(105)106)120-81(141)68(47-56-22-10-9-11-23-56)125-76(136)60(101)24-12-14-39-99/h9-11,22-23,33-36,51,54-55,60-73,133H,7-8,12-21,24-32,37-50,52-53,99-101H2,1-6H3,(H2,102,134)(H,111,117)(H,116,137)(H,118,142)(H,119,138)(H,120,141)(H,121,139)(H,122,146)(H,123,147)(H,124,140)(H,125,136)(H,126,143)(H,127,151)(H,128,152)(H,129,144)(H,130,145)(H,149,150)(H4,103,104,112)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,97-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257229
PNG
(CHEMBL4098390)
Show InChI InChI=1/C96H157BrN34O20/c1-6-7-24-64(86(145)129-96(4,5)91(151)128-70(90(149)150)48-56-32-34-57(97)35-33-56)122-87(146)72-30-19-44-130(72)75(134)51-115-77(136)60(25-12-14-39-99)117-84(143)69(49-58-50-110-53-116-58)126-85(144)71(52-132)127-82(141)67(46-54(2)3)125-80(139)63(28-17-42-113-94(106)107)121-88(147)73-31-20-45-131(73)89(148)66(29-18-43-114-95(108)109)123-81(140)65(36-37-74(101)133)120-79(138)61(26-15-40-111-92(102)103)118-78(137)62(27-16-41-112-93(104)105)119-83(142)68(47-55-21-9-8-10-22-55)124-76(135)59(100)23-11-13-38-98/h8-10,21-22,32-35,50,53-54,59-73,132H,6-7,11-20,23-31,36-49,51-52,98-100H2,1-5H3,(H2,101,133)(H,110,116)(H,115,136)(H,117,143)(H,118,137)(H,119,142)(H,120,138)(H,121,147)(H,122,146)(H,123,140)(H,124,135)(H,125,139)(H,126,144)(H,127,141)(H,128,151)(H,129,145)(H,149,150)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50014619
PNG
(CHEMBL3184840)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257231
PNG
(CHEMBL4065973)
Show InChI InChI=1/C97H159BrN34O20/c1-7-8-25-64(85(144)129-97(4,5)92(152)128-70(91(150)151)49-57-33-35-58(98)36-34-57)122-86(145)72-31-20-45-131(72)76(135)52-116-78(137)61(26-13-15-40-100)118-83(142)69(50-59-51-111-54-117-59)126-84(143)71(53-133)127-88(147)74(47-55(2)3)130(6)89(148)66(29-18-43-114-95(107)108)124-87(146)73-32-21-46-132(73)90(149)67(30-19-44-115-96(109)110)123-81(140)65(37-38-75(102)134)121-80(139)62(27-16-41-112-93(103)104)119-79(138)63(28-17-42-113-94(105)106)120-82(141)68(48-56-22-10-9-11-23-56)125-77(136)60(101)24-12-14-39-99/h9-11,22-23,33-36,51,54-55,60-74,133H,7-8,12-21,24-32,37-50,52-53,99-101H2,1-6H3,(H2,102,134)(H,111,117)(H,116,137)(H,118,142)(H,119,138)(H,120,141)(H,121,139)(H,122,145)(H,123,140)(H,124,146)(H,125,136)(H,126,143)(H,127,147)(H,128,152)(H,129,144)(H,150,151)(H4,103,104,112)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.450n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257222
PNG
(CHEMBL4075655)
Show InChI InChI=1/C70H111BrN22O16/c1-7-8-15-44(60(102)90-69(4,5)65(108)89-49(64(106)107)33-40-20-22-41(71)23-21-40)84-61(103)51-18-12-30-92(51)54(96)36-80-55(97)43(16-9-10-27-72)83-58(100)48(34-42-35-77-38-81-42)86-59(101)50(37-94)87-57(99)47(32-39(2)3)88-66(109)70(6,26-14-29-79-68(75)76)91-62(104)52-19-13-31-93(52)63(105)46(17-11-28-78-67(73)74)85-56(98)45-24-25-53(95)82-45/h20-23,35,38-39,43-52,94H,7-19,24-34,36-37,72H2,1-6H3,(H,77,81)(H,80,97)(H,82,95)(H,83,100)(H,84,103)(H,85,98)(H,86,101)(H,87,99)(H,88,109)(H,89,108)(H,90,102)(H,91,104)(H,106,107)(H4,73,74,78)(H4,75,76,79)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,70-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.560n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083386
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
0.873n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257227
PNG
(CHEMBL4085677)
Show InChI InChI=1/C68H108BrN23O16/c1-6-7-14-43(59(101)88-68(4,5)64(107)86-48(63(105)106)32-39-19-21-40(69)22-20-39)82-60(102)50-17-11-28-90(50)53(95)35-78-54(96)42(15-8-9-25-70)81-57(99)47(33-41-34-75-37-79-41)84-58(100)49(36-93)85-56(98)46(31-38(2)3)87-67(108)92(30-13-27-77-66(73)74)89-61(103)51-18-12-29-91(51)62(104)45(16-10-26-76-65(71)72)83-55(97)44-23-24-52(94)80-44/h19-22,34,37-38,42-51,93H,6-18,23-33,35-36,70H2,1-5H3,(H,75,79)(H,78,96)(H,80,94)(H,81,99)(H,82,102)(H,83,97)(H,84,100)(H,85,98)(H,86,107)(H,87,108)(H,88,101)(H,89,103)(H,105,106)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50257233
PNG
(CHEMBL4077505)
Show InChI InChI=1/C69H109BrN22O16/c1-6-7-14-44(61(102)90-69(4,5)66(108)89-49(65(106)107)32-39-20-22-40(70)23-21-39)84-62(103)51-18-12-29-91(51)54(95)35-79-55(96)42(15-8-9-26-71)82-59(100)48(33-41-34-76-37-80-41)87-60(101)50(36-93)88-58(99)47(31-38(2)3)86-56(97)43(16-10-27-77-67(72)73)83-63(104)52-19-13-30-92(52)64(105)46(17-11-28-78-68(74)75)85-57(98)45-24-25-53(94)81-45/h20-23,34,37-38,42-52,93H,6-19,24-33,35-36,71H2,1-5H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,104)(H,84,103)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,108)(H,90,102)(H,106,107)(H4,72,73,77)(H4,74,75,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Alberta , 11227 Saskatchewan Drive NW, Edmonton, Alberta T6G 2G2, Canada.

Curated by ChEMBL




J Med Chem 60: 6408-6427 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00723
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083385
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12-,13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
3.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083393
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
4.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083390
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9-,11+,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
5.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083382
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
5.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083374
PNG
(1-{[1-(1-Carboxy-3-sulfo-propylcarbamoyl)-2-(4-hyd...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H27N3O11S3/c19-12(5-7-34(27,28)29)15(33)17(24)21-14(9-10-1-3-11(22)4-2-10)16(23)20-13(18(25)26)6-8-35(30,31)32/h1-4,12-15,22,33H,5-9,19H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t12-,13+,14+,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
9.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083382
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
12n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083403
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083387
PNG
(1-{[1-(1-Carbamoyl-2-carboxy-ethylcarbamoyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C15H28N4O8S2/c1-3-7(2)11(14(23)18-9(13(17)22)6-10(20)21)19-15(24)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H2,17,22)(H,18,23)(H,19,24)(H,20,21)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083392
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9-,11+,12+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083400
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
16n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
17n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083384
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9+,11+,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
22n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083395
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
27n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083393
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
34n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083398
PNG
((3R,4R)-3-ammonio-5-{[(1S)-1-carboxy-2-methylbutyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(O)=O
Show InChI InChI=1S/C11H22N2O6S2/c1-3-6(2)8(11(15)16)13-10(14)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083377
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9+,11+,12+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
50n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083375
PNG
(3-[(1S,2R)-1-((S)-1,2-Dicarboxy-ethylcarbamoyl)-2-...)
Show SMILES CC[C@@H](C)[C@H](NCC(S)C([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H30N4O7S2/c1-3-8(2)13(14(22)19-10(15(23)24)6-12(20)21)18-7-11(27)9(16)4-5-28(17,25)26/h8-11,13,18,27H,3-7,16H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)(H2,17,25,26)/p+1/t8-,9?,10+,11?,13+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PubMed
51n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083402
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
53n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083399
PNG
(1-{[1-(1-Carboxy-3-sulfo-propylcarbamoyl)-2-(4-hyd...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H27N3O11S3/c19-12(5-7-34(27,28)29)15(33)17(24)21-14(9-10-1-3-11(22)4-2-10)16(23)20-13(18(25)26)6-8-35(30,31)32/h1-4,12-15,22,33H,5-9,19H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t12-,13+,14+,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
73n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083380
PNG
(1-{[(1S,2R)-1-((S)-1,2-Dicarboxy-ethylcarbamoyl)-2...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C(S)C([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N4O8S2/c1-3-7(2)11(13(22)18-9(15(24)25)6-10(20)21)19-14(23)12(28)8(16)4-5-29(17,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)(H2,17,26,27)/p+1/t7-,8?,9+,11+,12?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PubMed
80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083389
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
83n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Apelin


(Homo sapiens (Human))
BDBM50009560
PNG
(CHEMBL3234454)
Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc1csc(=[NH2+])n1C)C(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[n+]1C)C(=O)NC1CC[NH+](C)CC1 |r,wU:77.78,wD:62.61,c:32,35,(42.23,-24.66,;40.91,-23.9,;40.91,-22.37,;39.59,-24.66,;38.27,-23.9,;39.59,-26.19,;38.26,-25.42,;20.73,-28.11,;19.41,-27.35,;19.41,-25.82,;18.09,-28.11,;16.76,-28.86,;18.09,-29.63,;16.76,-27.35,;12.36,-19.74,;11.03,-18.97,;11.03,-17.45,;9.71,-19.74,;9.71,-21.26,;8.39,-20.49,;8.39,-18.97,;16.42,-2.4,;17.75,-3.16,;17.76,-4.7,;16.44,-5.48,;16.45,-7.02,;19.1,-5.46,;20.43,-4.68,;21.77,-5.44,;21.78,-6.99,;20.45,-7.77,;19.11,-7.01,;23.11,-7.74,;24.44,-6.95,;25.77,-7.7,;27.08,-6.93,;27.07,-5.4,;25.74,-4.65,;24.43,-5.42,;28.39,-4.61,;29.73,-5.37,;31.06,-4.58,;28.38,-3.07,;27.03,-2.32,;23.13,-9.28,;21.8,-10.07,;21.82,-11.61,;23.16,-12.36,;24.49,-11.58,;24.47,-10.04,;25.8,-9.25,;24.45,-8.5,;27.12,-8.47,;27.14,-10.01,;23.18,-13.9,;22.42,-15.24,;21.64,-13.91,;24.52,-14.65,;24.51,-16.2,;25.85,-16.97,;25.85,-18.51,;27.18,-19.28,;27.18,-20.82,;28.51,-21.59,;29.85,-20.82,;29.85,-19.28,;31.18,-21.59,;32.51,-20.82,;32.67,-19.29,;34.18,-18.97,;34.95,-20.3,;36.48,-20.46,;33.92,-21.44,;34.31,-22.93,;25.85,-21.59,;25.85,-23.13,;24.51,-20.82,;23.18,-21.59,;23.18,-23.13,;24.36,-24.12,;25.83,-23.66,;26.72,-24.92,;28.23,-25.19,;28.76,-26.64,;27.76,-27.81,;28.28,-29.26,;29.8,-29.53,;30.79,-28.34,;30.27,-26.9,;25.79,-26.15,;24.33,-25.65,;23.23,-26.74,;21.85,-20.82,;21.85,-19.28,;20.51,-21.59,;19.18,-20.82,;17.84,-21.59,;16.51,-20.81,;16.51,-19.27,;15.42,-18.17,;17.85,-18.51,;19.18,-19.28,)|
Show InChI InChI=1S/C59H77N11O8S3.3C2HF3O2/c1-8-69(9-2)46-24-20-43(21-25-46)56(44-22-26-47(27-23-44)70(10-3)11-4)51-29-28-50(37-54(51)81(76,77)78)80(74,75)61-32-16-15-19-52(63-55(71)36-49-40-79-59(60)67(49)7)57(72)64-53(58(73)62-45-30-33-65(5)34-31-45)35-48-39-68(41-66(48)6)38-42-17-13-12-14-18-42;3*3-2(4,5)1(6)7/h12-14,17-18,20-29,37,39-41,45,52-53,60-61H,8-11,15-16,19,30-36,38H2,1-7H3,(H2-2,62,63,64,71,72,73,76,77,78);3*(H,6,7)/t52-,53-;;;/m0.../s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
89n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


J Med Chem 57: 2908-19 (2014)


Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083372
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
110n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50083403
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
120n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against aminopeptidase N from pig kidney


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083388
PNG
((3R,4R)-5-{[(1S)-1-(aminocarbonyl)-2-methylbutyl]a...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(N)=O
Show InChI InChI=1S/C11H23N3O5S2/c1-3-6(2)8(10(13)15)14-11(16)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
145n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083383
PNG
(1-{[(S)-1-((S)-1,2-Dicarboxy-ethylcarbamoyl)-2-(4-...)
Show SMILES NS(=O)(=O)CCC([NH3+])C(S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H26N4O9S2/c19-11(5-6-33(20,30)31)15(32)17(27)21-12(7-9-1-3-10(23)4-2-9)16(26)22-13(18(28)29)8-14(24)25/h1-4,11-13,15,23,32H,5-8,19H2,(H,21,27)(H,22,26)(H,24,25)(H,28,29)(H2,20,30,31)/p+1/t11?,12-,13-,15?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PubMed
150n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Apelin


(Homo sapiens (Human))
BDBM50009571
PNG
(CHEMBL3234461)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NCC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:43.45,wD:28.28,(9.2,-3.27,;10.53,-4.03,;10.54,-5.57,;9.22,-6.35,;9.22,-7.89,;11.87,-6.33,;11.88,-7.88,;13.22,-8.64,;14.55,-7.86,;15.88,-8.61,;15.9,-10.15,;14.57,-10.94,;14.59,-12.48,;15.92,-13.23,;17.25,-12.45,;17.24,-10.91,;18.57,-10.13,;17.22,-9.38,;19.91,-10.89,;19.89,-9.35,;15.94,-14.77,;14.4,-14.78,;15.18,-16.11,;17.28,-15.53,;17.28,-17.08,;18.61,-17.85,;18.61,-19.39,;19.95,-20.16,;19.95,-21.7,;21.28,-22.47,;22.61,-21.7,;22.61,-20.16,;23.95,-22.47,;25.28,-21.7,;25.44,-20.17,;26.95,-19.85,;27.72,-21.18,;29.25,-21.34,;26.68,-22.33,;27.07,-23.81,;18.61,-22.47,;18.61,-24.01,;17.28,-21.7,;15.94,-22.47,;15.94,-24.01,;17.12,-25,;18.6,-24.54,;19.48,-25.8,;21,-26.07,;21.52,-27.52,;20.52,-28.69,;21.05,-30.14,;22.56,-30.41,;23.56,-29.22,;23.03,-27.78,;18.56,-27.03,;17.1,-26.53,;16,-27.62,;14.61,-21.7,;14.61,-20.16,;13.28,-22.47,;11.94,-21.7,;10.61,-22.47,;9.28,-21.71,;7.95,-22.47,;7.94,-24.01,;6.61,-24.78,;9.28,-24.79,;10.62,-24.02,;17.21,-7.83,;18.53,-8.58,;19.85,-7.81,;19.84,-6.28,;18.51,-5.53,;17.2,-6.3,;15.87,-5.53,;14.54,-6.32,;13.2,-5.55,;21.17,-5.49,;22.51,-6.25,;23.83,-5.47,;21.15,-3.95,;19.81,-3.2,)|
Show InChI InChI=1S/C60H77N11O9S3/c1-8-70(9-2)43-20-23-48-53(32-43)80-54-33-44(71(10-3)11-4)21-24-49(54)57(48)50-25-22-47(35-55(50)83(77,78)79)82(75,76)63-28-16-15-19-51(64-56(72)34-46-39-81-60(61)68(46)7)59(74)65-52(58(73)62-36-41-26-29-66(5)30-27-41)31-45-38-69(40-67(45)6)37-42-17-13-12-14-18-42/h12-14,17-18,20-25,32-33,35,38-41,51-52,61,63H,8-11,15-16,19,26-31,34,36-37H2,1-7H3,(H2-2,62,64,65,72,73,74,77,78,79)/p+1/t51-,52-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


J Med Chem 57: 2908-19 (2014)


Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 166 total )  |  Next  |  Last  >>
Jump to: