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37 similar compounds to monomer 50013336

Wt: 1573.7
BDBM50001729
Wt: 2375.6
BDBM50013335
Wt: 2549.7
BDBM50013338
Wt: 2549.7
BDBM50016816
Wt: 2360.6
BDBM50013343
Wt: 1185.3
BDBM50033565
Wt: 1229.4
BDBM50033569
Wt: 1231.4
BDBM50033572
Wt: 1108.2
BDBM50030032
Wt: 1135.3
BDBM50030050
Wt: 1177.4
BDBM50030059
Wt: 1163.3
BDBM50030062
Wt: 1105.2
BDBM50030064
Wt: 1121.2
BDBM50030068
Wt: 1313.5
BDBM50040126
Displayed 1 to 15 (of 37 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50001729,50013335,50013338,50016816,50013343,50033565,50033569,50033572,50030032,50030050,50030059,50030062,50030064,50030068,50040126   
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
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50016816
PNG
(CHEMBL412913 | S-S-C-F-G-G-R-I-D-R-I-G-A-Q-S-G-L-G...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55+,60-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71+,72-,73-,74+,75?,84+,85+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.25n/an/an/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Apparent binding affinity for non-vasorelaxant receptor


Citation and Details
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033572
PNG
(CHEMBL386860 | Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Cys...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C54H82N14O15S2/c1-29(2)22-36(46(75)66-40(27-84)50(79)61-35(53(82)83)13-8-20-59-54(57)58)64-51(80)42-14-9-21-68(42)52(81)41(28-85)67-48(77)38(25-43(71)72)63-45(74)34(12-6-7-19-55)60-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(26-69)65-44(73)33(56)23-31-15-17-32(70)18-16-31/h3-5,10-11,15-18,29,33-42,69-70,84-85H,6-9,12-14,19-28,55-56H2,1-2H3,(H,60,76)(H,61,79)(H,62,78)(H,63,74)(H,64,80)(H,65,73)(H,66,75)(H,67,77)(H,71,72)(H,82,83)(H4,57,58,59)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.24E+5n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


Citation and Details
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033565
PNG
(CHEMBL262653 | Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Gly...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C53H80N14O15S/c1-29(2)22-36(45(74)59-26-42(70)60-35(52(81)82)13-8-20-58-53(56)57)64-50(79)41-14-9-21-67(41)51(80)40(28-83)66-48(77)38(25-43(71)72)63-46(75)34(12-6-7-19-54)61-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(27-68)65-44(73)33(55)23-31-15-17-32(69)18-16-31/h3-5,10-11,15-18,29,33-41,68-69,83H,6-9,12-14,19-28,54-55H2,1-2H3,(H,59,74)(H,60,70)(H,61,76)(H,62,78)(H,63,75)(H,64,79)(H,65,73)(H,66,77)(H,71,72)(H,81,82)(H4,56,57,58)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


Citation and Details
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033572
PNG
(CHEMBL386860 | Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Cys...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C54H82N14O15S2/c1-29(2)22-36(46(75)66-40(27-84)50(79)61-35(53(82)83)13-8-20-59-54(57)58)64-51(80)42-14-9-21-68(42)52(81)41(28-85)67-48(77)38(25-43(71)72)63-45(74)34(12-6-7-19-55)60-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(26-69)65-44(73)33(56)23-31-15-17-32(70)18-16-31/h3-5,10-11,15-18,29,33-42,69-70,84-85H,6-9,12-14,19-28,55-56H2,1-2H3,(H,60,76)(H,61,79)(H,62,78)(H,63,74)(H,64,80)(H,65,73)(H,66,75)(H,67,77)(H,71,72)(H,82,83)(H4,57,58,59)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


Citation and Details
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033565
PNG
(CHEMBL262653 | Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Gly...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C53H80N14O15S/c1-29(2)22-36(45(74)59-26-42(70)60-35(52(81)82)13-8-20-58-53(56)57)64-50(79)41-14-9-21-67(41)51(80)40(28-83)66-48(77)38(25-43(71)72)63-46(75)34(12-6-7-19-54)61-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(27-68)65-44(73)33(55)23-31-15-17-32(69)18-16-31/h3-5,10-11,15-18,29,33-41,68-69,83H,6-9,12-14,19-28,54-55H2,1-2H3,(H,59,74)(H,60,70)(H,61,76)(H,62,78)(H,63,75)(H,64,79)(H,65,73)(H,66,77)(H,71,72)(H,81,82)(H4,56,57,58)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.95E+4n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


Citation and Details
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033569
PNG
(CHEMBL407045 | Tyr-Ser-Phe-Lys-Asp-cyclo[Cys-Pro-L...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H80N14O15S2/c1-29(2)22-36-46(75)66-40(50(79)61-35(53(82)83)13-8-20-59-54(57)58)27-84-85-28-41(52(81)68-21-9-14-42(68)51(80)64-36)67-48(77)38(25-43(71)72)63-45(74)34(12-6-7-19-55)60-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(26-69)65-44(73)33(56)23-31-15-17-32(70)18-16-31/h3-5,10-11,15-18,29,33-42,69-70H,6-9,12-14,19-28,55-56H2,1-2H3,(H,60,76)(H,61,79)(H,62,78)(H,63,74)(H,64,80)(H,65,73)(H,66,75)(H,67,77)(H,71,72)(H,82,83)(H4,57,58,59)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030032
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-K-C-NH2 | CHEMBL267950)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N15O14S2/c1-23(61)53-32-22-76-75-21-31(37(48)66)59-39(68)27(7-3-4-14-46)55-40(69)28(17-24-10-12-25(74-2)13-11-24)57-41(70)29(19-36(64)65)54-35(63)20-52-38(67)26(8-5-15-51-45(49)50)56-43(72)33-9-6-16-60(33)44(73)30(18-34(47)62)58-42(32)71/h10-13,26-33H,3-9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,66)(H,52,67)(H,53,61)(H,54,63)(H,55,69)(H,56,72)(H,57,70)(H,58,71)(H,59,68)(H,64,65)(H4,49,50,51)/t26-,27-,28+,29-,30-,31-,32-,33+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.82E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030050
PNG
(Ac-C-I-P-R-G-D-(Y-OMe)R-C-NH2 | CHEMBL429529)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C47H74N16O13S2/c1-5-24(2)37-45(75)63-18-8-11-34(63)44(74)59-28(9-6-16-53-46(49)50)39(69)55-21-35(65)57-31(20-36(66)67)42(72)60-30(19-26-12-14-27(76-4)15-13-26)41(71)58-29(10-7-17-54-47(51)52)40(70)61-32(38(48)68)22-77-78-23-33(43(73)62-37)56-25(3)64/h12-15,24,28-34,37H,5-11,16-23H2,1-4H3,(H2,48,68)(H,55,69)(H,56,64)(H,57,65)(H,58,71)(H,59,74)(H,60,72)(H,61,70)(H,62,73)(H,66,67)(H4,49,50,53)(H4,51,52,54)/t24-,28+,29+,30-,31+,32+,33+,34-,37+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030050
PNG
(Ac-C-I-P-R-G-D-(Y-OMe)R-C-NH2 | CHEMBL429529)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C47H74N16O13S2/c1-5-24(2)37-45(75)63-18-8-11-34(63)44(74)59-28(9-6-16-53-46(49)50)39(69)55-21-35(65)57-31(20-36(66)67)42(72)60-30(19-26-12-14-27(76-4)15-13-26)41(71)58-29(10-7-17-54-47(51)52)40(70)61-32(38(48)68)22-77-78-23-33(43(73)62-37)56-25(3)64/h12-15,24,28-34,37H,5-11,16-23H2,1-4H3,(H2,48,68)(H,55,69)(H,56,64)(H,57,65)(H,58,71)(H,59,74)(H,60,72)(H,61,70)(H,62,73)(H,66,67)(H4,49,50,53)(H4,51,52,54)/t24-,28+,29+,30-,31+,32+,33+,34-,37+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030059
PNG
(Ac-C-I-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL40887...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
Show InChI InChI=1S/C50H80N16O13S2/c1-5-7-21-79-30-16-14-29(15-17-30)22-33-44(74)61-32(12-9-19-57-50(54)55)43(73)64-35(41(51)71)25-80-81-26-36(59-28(4)67)46(76)65-40(27(3)6-2)48(78)66-20-10-13-37(66)47(77)62-31(11-8-18-56-49(52)53)42(72)58-24-38(68)60-34(23-39(69)70)45(75)63-33/h14-17,27,31-37,40H,5-13,18-26H2,1-4H3,(H2,51,71)(H,58,72)(H,59,67)(H,60,68)(H,61,74)(H,62,77)(H,63,75)(H,64,73)(H,65,76)(H,69,70)(H4,52,53,56)(H4,54,55,57)/t27-,31+,32+,33-,34+,35+,36+,37-,40+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030064
PNG
(Ac-C-I-P-R-G-D-F-R-C-NH2 | CHEMBL265425)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O12S2/c1-4-24(2)36-44(74)62-18-10-15-33(62)43(73)58-27(13-8-16-52-45(48)49)38(68)54-21-34(64)56-30(20-35(65)66)41(71)59-29(19-26-11-6-5-7-12-26)40(70)57-28(14-9-17-53-46(50)51)39(69)60-31(37(47)67)22-75-76-23-32(42(72)61-36)55-25(3)63/h5-7,11-12,24,27-33,36H,4,8-10,13-23H2,1-3H3,(H2,47,67)(H,54,68)(H,55,63)(H,56,64)(H,57,70)(H,58,73)(H,59,71)(H,60,69)(H,61,72)(H,65,66)(H4,48,49,52)(H4,50,51,53)/t24-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030062
PNG
(Ac-(D-Pen)-I-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL43846...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C49H78N16O13S2/c1-7-25(2)37-46(77)65-20-10-13-34(65)44(75)61-29(11-8-18-55-47(51)52)40(71)57-23-35(67)59-32(22-36(68)69)43(74)62-31(21-27-14-16-28(78-6)17-15-27)42(73)60-30(12-9-19-56-48(53)54)41(72)63-33(39(50)70)24-79-80-49(4,5)38(45(76)64-37)58-26(3)66/h14-17,25,29-34,37-38H,7-13,18-24H2,1-6H3,(H2,50,70)(H,57,71)(H,58,66)(H,59,67)(H,60,73)(H,61,75)(H,62,74)(H,63,72)(H,64,76)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t25-,29+,30+,31-,32+,33+,34-,37+,38-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030032
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-K-C-NH2 | CHEMBL267950)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N15O14S2/c1-23(61)53-32-22-76-75-21-31(37(48)66)59-39(68)27(7-3-4-14-46)55-40(69)28(17-24-10-12-25(74-2)13-11-24)57-41(70)29(19-36(64)65)54-35(63)20-52-38(67)26(8-5-15-51-45(49)50)56-43(72)33-9-6-16-60(33)44(73)30(18-34(47)62)58-42(32)71/h10-13,26-33H,3-9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,66)(H,52,67)(H,53,61)(H,54,63)(H,55,69)(H,56,72)(H,57,70)(H,58,71)(H,59,68)(H,64,65)(H4,49,50,51)/t26-,27-,28+,29-,30-,31-,32-,33+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030068
PNG
(Ac-C-I-P-R-G-D-Y-R-C-NH2 | CHEMBL405541)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O13S2/c1-4-23(2)36-44(75)62-17-7-10-33(62)43(74)58-27(8-5-15-52-45(48)49)38(69)54-20-34(65)56-30(19-35(66)67)41(72)59-29(18-25-11-13-26(64)14-12-25)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-76-77-22-32(42(73)61-36)55-24(3)63/h11-14,23,27-33,36,64H,4-10,15-22H2,1-3H3,(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,73)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030059
PNG
(Ac-C-I-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL40887...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
Show InChI InChI=1S/C50H80N16O13S2/c1-5-7-21-79-30-16-14-29(15-17-30)22-33-44(74)61-32(12-9-19-57-50(54)55)43(73)64-35(41(51)71)25-80-81-26-36(59-28(4)67)46(76)65-40(27(3)6-2)48(78)66-20-10-13-37(66)47(77)62-31(11-8-18-56-49(52)53)42(72)58-24-38(68)60-34(23-39(69)70)45(75)63-33/h14-17,27,31-37,40H,5-13,18-26H2,1-4H3,(H2,51,71)(H,58,72)(H,59,67)(H,60,68)(H,61,74)(H,62,77)(H,63,75)(H,64,73)(H,65,76)(H,69,70)(H4,52,53,56)(H4,54,55,57)/t27-,31+,32+,33-,34+,35+,36+,37-,40+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030068
PNG
(Ac-C-I-P-R-G-D-Y-R-C-NH2 | CHEMBL405541)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O13S2/c1-4-23(2)36-44(75)62-17-7-10-33(62)43(74)58-27(8-5-15-52-45(48)49)38(69)54-20-34(65)56-30(19-35(66)67)41(72)59-29(18-25-11-13-26(64)14-12-25)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-76-77-22-32(42(73)61-36)55-24(3)63/h11-14,23,27-33,36,64H,4-10,15-22H2,1-3H3,(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,73)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030068
PNG
(Ac-C-I-P-R-G-D-Y-R-C-NH2 | CHEMBL405541)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O13S2/c1-4-23(2)36-44(75)62-17-7-10-33(62)43(74)58-27(8-5-15-52-45(48)49)38(69)54-20-34(65)56-30(19-35(66)67)41(72)59-29(18-25-11-13-26(64)14-12-25)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-76-77-22-32(42(73)61-36)55-24(3)63/h11-14,23,27-33,36,64H,4-10,15-22H2,1-3H3,(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,73)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030032
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-K-C-NH2 | CHEMBL267950)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N15O14S2/c1-23(61)53-32-22-76-75-21-31(37(48)66)59-39(68)27(7-3-4-14-46)55-40(69)28(17-24-10-12-25(74-2)13-11-24)57-41(70)29(19-36(64)65)54-35(63)20-52-38(67)26(8-5-15-51-45(49)50)56-43(72)33-9-6-16-60(33)44(73)30(18-34(47)62)58-42(32)71/h10-13,26-33H,3-9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,66)(H,52,67)(H,53,61)(H,54,63)(H,55,69)(H,56,72)(H,57,70)(H,58,71)(H,59,68)(H,64,65)(H4,49,50,51)/t26-,27-,28+,29-,30-,31-,32-,33+/m1/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030064
PNG
(Ac-C-I-P-R-G-D-F-R-C-NH2 | CHEMBL265425)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O12S2/c1-4-24(2)36-44(74)62-18-10-15-33(62)43(73)58-27(13-8-16-52-45(48)49)38(68)54-21-34(64)56-30(20-35(65)66)41(71)59-29(19-26-11-6-5-7-12-26)40(70)57-28(14-9-17-53-46(50)51)39(69)60-31(37(47)67)22-75-76-23-32(42(72)61-36)55-25(3)63/h5-7,11-12,24,27-33,36H,4,8-10,13-23H2,1-3H3,(H2,47,67)(H,54,68)(H,55,63)(H,56,64)(H,57,70)(H,58,73)(H,59,71)(H,60,69)(H,61,72)(H,65,66)(H4,48,49,52)(H4,50,51,53)/t24-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030062
PNG
(Ac-(D-Pen)-I-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL43846...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C49H78N16O13S2/c1-7-25(2)37-46(77)65-20-10-13-34(65)44(75)61-29(11-8-18-55-47(51)52)40(71)57-23-35(67)59-32(22-36(68)69)43(74)62-31(21-27-14-16-28(78-6)17-15-27)42(73)60-30(12-9-19-56-48(53)54)41(72)63-33(39(50)70)24-79-80-49(4,5)38(45(76)64-37)58-26(3)66/h14-17,25,29-34,37-38H,7-13,18-24H2,1-6H3,(H2,50,70)(H,57,71)(H,58,66)(H,59,67)(H,60,73)(H,61,75)(H,62,74)(H,63,72)(H,64,76)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t25-,29+,30+,31-,32+,33+,34-,37+,38-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030059
PNG
(Ac-C-I-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL40887...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
Show InChI InChI=1S/C50H80N16O13S2/c1-5-7-21-79-30-16-14-29(15-17-30)22-33-44(74)61-32(12-9-19-57-50(54)55)43(73)64-35(41(51)71)25-80-81-26-36(59-28(4)67)46(76)65-40(27(3)6-2)48(78)66-20-10-13-37(66)47(77)62-31(11-8-18-56-49(52)53)42(72)58-24-38(68)60-34(23-39(69)70)45(75)63-33/h14-17,27,31-37,40H,5-13,18-26H2,1-4H3,(H2,51,71)(H,58,72)(H,59,67)(H,60,68)(H,61,74)(H,62,77)(H,63,75)(H,64,73)(H,65,76)(H,69,70)(H4,52,53,56)(H4,54,55,57)/t27-,31+,32+,33-,34+,35+,36+,37-,40+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030050
PNG
(Ac-C-I-P-R-G-D-(Y-OMe)R-C-NH2 | CHEMBL429529)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C47H74N16O13S2/c1-5-24(2)37-45(75)63-18-8-11-34(63)44(74)59-28(9-6-16-53-46(49)50)39(69)55-21-35(65)57-31(20-36(66)67)42(72)60-30(19-26-12-14-27(76-4)15-13-26)41(71)58-29(10-7-17-54-47(51)52)40(70)61-32(38(48)68)22-77-78-23-33(43(73)62-37)56-25(3)64/h12-15,24,28-34,37H,5-11,16-23H2,1-4H3,(H2,48,68)(H,55,69)(H,56,64)(H,57,65)(H,58,71)(H,59,74)(H,60,72)(H,61,70)(H,62,73)(H,66,67)(H4,49,50,53)(H4,51,52,54)/t24-,28+,29+,30-,31+,32+,33+,34-,37+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030062
PNG
(Ac-(D-Pen)-I-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL43846...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C49H78N16O13S2/c1-7-25(2)37-46(77)65-20-10-13-34(65)44(75)61-29(11-8-18-55-47(51)52)40(71)57-23-35(67)59-32(22-36(68)69)43(74)62-31(21-27-14-16-28(78-6)17-15-27)42(73)60-30(12-9-19-56-48(53)54)41(72)63-33(39(50)70)24-79-80-49(4,5)38(45(76)64-37)58-26(3)66/h14-17,25,29-34,37-38H,7-13,18-24H2,1-6H3,(H2,50,70)(H,57,71)(H,58,66)(H,59,67)(H,60,73)(H,61,75)(H,62,74)(H,63,72)(H,64,76)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t25-,29+,30+,31-,32+,33+,34-,37+,38-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030064
PNG
(Ac-C-I-P-R-G-D-F-R-C-NH2 | CHEMBL265425)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O12S2/c1-4-24(2)36-44(74)62-18-10-15-33(62)43(73)58-27(13-8-16-52-45(48)49)38(68)54-21-34(64)56-30(20-35(65)66)41(71)59-29(19-26-11-6-5-7-12-26)40(70)57-28(14-9-17-53-46(50)51)39(69)60-31(37(47)67)22-75-76-23-32(42(72)61-36)55-25(3)63/h5-7,11-12,24,27-33,36H,4,8-10,13-23H2,1-3H3,(H2,47,67)(H,54,68)(H,55,63)(H,56,64)(H,57,70)(H,58,73)(H,59,71)(H,60,69)(H,61,72)(H,65,66)(H4,48,49,52)(H4,50,51,53)/t24-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 0.0470n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 0.475n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta opioid receptor of guinea pig brain homogenate


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mu-selective antagonist binding to opioid receptor of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 0.0910n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 92.6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of delta-selective antagonist binding to opioid receptor of mouse vas dferens


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001729
PNG
(CHEMBL3238024)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C65H88N16O22S4/c1-31-52(89)78-51(32(2)83)61(98)73-39(23-48(67)85)63(100)79-18-6-11-45(79)59(96)71-37(24-50(87)88)54(91)77-44(65(102)103)30-107-106-28-42-58(95)74-40(26-82)55(92)72-38(22-34-14-16-35(84)17-15-34)62(99)81-20-8-13-47(81)64(101)80-19-7-12-46(80)60(97)76-43(29-105-104-27-41(56(93)75-42)69-49(86)25-66)57(94)70-36(53(90)68-31)21-33-9-4-3-5-10-33/h3-5,9-10,14-17,31-32,36-47,51,82-84H,6-8,11-13,18-30,66H2,1-2H3,(H2,67,85)(H,68,90)(H,69,86)(H,70,94)(H,71,96)(H,72,92)(H,73,98)(H,74,95)(H,75,93)(H,76,97)(H,77,91)(H,78,89)(H,87,88)(H,102,103)/t31-,32+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes by voltage clamp technique


J Med Chem 57: 3511-21 (2014)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013335
PNG
(CHEMBL440816 | r-ANF (105-126)(Atrial Natriuretic ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C101H155N33O30S2/c1-8-51(5)80-96(161)118-43-75(141)119-53(7)82(147)123-62(30-31-72(103)138)88(153)131-69(46-135)86(151)117-44-77(143)121-63(35-50(3)4)84(149)116-45-78(144)122-71(95(160)128-66(39-73(104)139)92(157)132-70(47-136)94(159)127-65(37-55-21-14-11-15-22-55)91(156)124-60(24-17-33-112-100(107)108)87(152)130-68(98(163)164)38-56-26-28-57(137)29-27-56)49-166-165-48-58(102)83(148)126-64(36-54-19-12-10-13-20-54)85(150)115-41-74(140)114-42-76(142)120-59(23-16-32-111-99(105)106)89(154)134-81(52(6)9-2)97(162)129-67(40-79(145)146)93(158)125-61(90(155)133-80)25-18-34-113-101(109)110/h10-15,19-22,26-29,50-53,58-71,80-81,135-137H,8-9,16-18,23-25,30-49,102H2,1-7H3,(H2,103,138)(H2,104,139)(H,114,140)(H,115,150)(H,116,149)(H,117,151)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,144)(H,123,147)(H,124,156)(H,125,158)(H,126,148)(H,127,159)(H,128,160)(H,129,162)(H,130,152)(H,131,153)(H,132,157)(H,133,155)(H,134,154)(H,145,146)(H,163,164)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,80-,81-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013338
PNG
(CHEMBL413659 | r-ANF (103-126)(Atrial Natriuretic ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74-,75-,84-,85-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor C


(Mus musculus)
BDBM50013335
PNG
(CHEMBL440816 | r-ANF (105-126)(Atrial Natriuretic ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C101H155N33O30S2/c1-8-51(5)80-96(161)118-43-75(141)119-53(7)82(147)123-62(30-31-72(103)138)88(153)131-69(46-135)86(151)117-44-77(143)121-63(35-50(3)4)84(149)116-45-78(144)122-71(95(160)128-66(39-73(104)139)92(157)132-70(47-136)94(159)127-65(37-55-21-14-11-15-22-55)91(156)124-60(24-17-33-112-100(107)108)87(152)130-68(98(163)164)38-56-26-28-57(137)29-27-56)49-166-165-48-58(102)83(148)126-64(36-54-19-12-10-13-20-54)85(150)115-41-74(140)114-42-76(142)120-59(23-16-32-111-99(105)106)89(154)134-81(52(6)9-2)97(162)129-67(40-79(145)146)93(158)125-61(90(155)133-80)25-18-34-113-101(109)110/h10-15,19-22,26-29,50-53,58-71,80-81,135-137H,8-9,16-18,23-25,30-49,102H2,1-7H3,(H2,103,138)(H2,104,139)(H,114,140)(H,115,150)(H,116,149)(H,117,151)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,144)(H,123,147)(H,124,156)(H,125,158)(H,126,148)(H,127,159)(H,128,160)(H,129,162)(H,130,152)(H,131,153)(H,132,157)(H,133,155)(H,134,154)(H,145,146)(H,163,164)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,80-,81-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor C


(Mus musculus)
BDBM50013343
PNG
(CHEMBL2371227 | deamino [Mpr105,Cys121] r-ANF (99-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C101H154N32O30S2/c1-8-52(5)81-96(160)117-45-76(141)118-54(7)83(147)123-62(30-31-72(102)137)88(152)130-69(48-134)86(150)116-46-78(143)121-63(37-51(3)4)84(148)115-47-79(144)122-71(95(159)127-66(41-73(103)138)92(156)131-70(49-135)94(158)126-65(39-56-21-14-11-15-22-56)91(155)124-60(24-17-34-111-100(106)107)87(151)129-68(98(162)163)40-57-26-28-58(136)29-27-57)50-165-164-36-32-74(139)120-64(38-55-19-12-10-13-20-55)85(149)114-43-75(140)113-44-77(142)119-59(23-16-33-110-99(104)105)89(153)133-82(53(6)9-2)97(161)128-67(42-80(145)146)93(157)125-61(90(154)132-81)25-18-35-112-101(108)109/h10-15,19-22,26-29,51-54,59-71,81-82,134-136H,8-9,16-18,23-25,30-50H2,1-7H3,(H2,102,137)(H2,103,138)(H,113,140)(H,114,149)(H,115,148)(H,116,150)(H,117,160)(H,118,141)(H,119,142)(H,120,139)(H,121,143)(H,122,144)(H,123,147)(H,124,155)(H,125,157)(H,126,158)(H,127,159)(H,128,161)(H,129,151)(H,130,152)(H,131,156)(H,132,154)(H,133,153)(H,145,146)(H,162,163)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,81-,82-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

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PubMed
n/an/a 0.220n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013343
PNG
(CHEMBL2371227 | deamino [Mpr105,Cys121] r-ANF (99-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C101H154N32O30S2/c1-8-52(5)81-96(160)117-45-76(141)118-54(7)83(147)123-62(30-31-72(102)137)88(152)130-69(48-134)86(150)116-46-78(143)121-63(37-51(3)4)84(148)115-47-79(144)122-71(95(159)127-66(41-73(103)138)92(156)131-70(49-135)94(158)126-65(39-56-21-14-11-15-22-56)91(155)124-60(24-17-34-111-100(106)107)87(151)129-68(98(162)163)40-57-26-28-58(136)29-27-57)50-165-164-36-32-74(139)120-64(38-55-19-12-10-13-20-55)85(149)114-43-75(140)113-44-77(142)119-59(23-16-33-110-99(104)105)89(153)133-82(53(6)9-2)97(161)128-67(42-80(145)146)93(157)125-61(90(154)132-81)25-18-35-112-101(108)109/h10-15,19-22,26-29,51-54,59-71,81-82,134-136H,8-9,16-18,23-25,30-50H2,1-7H3,(H2,102,137)(H2,103,138)(H,113,140)(H,114,149)(H,115,148)(H,116,150)(H,117,160)(H,118,141)(H,119,142)(H,120,139)(H,121,143)(H,122,144)(H,123,147)(H,124,155)(H,125,157)(H,126,158)(H,127,159)(H,128,161)(H,129,151)(H,130,152)(H,131,156)(H,132,154)(H,133,153)(H,145,146)(H,162,163)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,81-,82-/m0/s1
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UniProtKB/SwissProt

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PC sid
UniChem

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n/an/a 1n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor C


(Mus musculus)
BDBM50013338
PNG
(CHEMBL413659 | r-ANF (103-126)(Atrial Natriuretic ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74-,75-,84-,85-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC sid
UniChem

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PubMed
n/an/a 0.350n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Citation and Details
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033569
PNG
(CHEMBL407045 | Tyr-Ser-Phe-Lys-Asp-cyclo[Cys-Pro-L...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H80N14O15S2/c1-29(2)22-36-46(75)66-40(50(79)61-35(53(82)83)13-8-20-59-54(57)58)27-84-85-28-41(52(81)68-21-9-14-42(68)51(80)64-36)67-48(77)38(25-43(71)72)63-45(74)34(12-6-7-19-55)60-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(26-69)65-44(73)33(56)23-31-15-17-32(70)18-16-31/h3-5,10-11,15-18,29,33-42,69-70H,6-9,12-14,19-28,55-56H2,1-2H3,(H,60,76)(H,61,79)(H,62,78)(H,63,74)(H,64,80)(H,65,73)(H,66,75)(H,67,77)(H,71,72)(H,82,83)(H4,57,58,59)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/an/an/a 5.00E+5n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


Citation and Details
More data for this
Ligand-Target Pair