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38 similar compounds to monomer 50013343

Compile data set for download or QSAR
Wt: 1541.7
BDBM21739
Wt: 1499.7
BDBM21740
Wt: 1528.7
BDBM21745
Wt: 1133.3
BDBM50030072
Wt: 1137.2
BDBM50030065
Wt: 1051.1
BDBM50030061
Wt: 1150.2
BDBM50030041
Wt: 1136.2
BDBM50030054
Wt: 1109.1
BDBM50030040
Wt: 1204.3
BDBM50030031
Wt: 1093.2
BDBM50030045
Wt: 1136.2
BDBM50030035
Wt: 1164.3
BDBM50030039
Wt: 2549.7
BDBM50013338
Wt: 2549.7
BDBM50016816
Displayed 1 to 15 (of 38 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 21739,21740,21745,50030072,50030065,50030061,50030041,50030054,50030040,50030031,50030045,50030035,50030039,50013338,50016816   
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 3


(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

Article
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


J Med Chem 32: 67-72 (1989)


Article DOI: 10.1021/jm00121a014
BindingDB Entry DOI: 10.7270/Q2FN156B
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM21739
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N20O18S2/c1-6-34(3)50-61(101)81-43-32-106-107-33-44(80-54(94)38(18-11-23-72-66(68)69)75-48(90)30-74-53(93)40(29-49(91)92)77-59(99)45-20-13-25-85(45)63(103)41(78-57(43)97)28-37-16-9-8-10-17-37)58(98)84-52(36(5)89)62(102)76-39(19-12-24-73-67(70)71)55(95)79-42(31-88)56(96)83-51(35(4)7-2)65(105)87-27-15-22-47(87)64(104)86-26-14-21-46(86)60(100)82-50/h8-10,16-17,34-36,38-47,50-52,88-89H,6-7,11-15,18-33H2,1-5H3,(H,74,93)(H,75,90)(H,76,102)(H,77,99)(H,78,97)(H,79,95)(H,80,94)(H,81,101)(H,82,100)(H,83,96)(H,84,98)(H,91,92)(H4,68,69,72)(H4,70,71,73)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
860 -8.19n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21745
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O
Show InChI InChI=1S/C66H101N19O19S2/c1-4-34(2)51-65(104)85-27-13-20-47(85)64(103)84-26-12-19-46(84)60(99)74-39(21-22-48(68)88)56(95)79-43-32-105-106-33-44(59(98)82-52(35(3)87)62(101)75-38(16-8-9-23-67)55(94)78-42(31-86)57(96)81-51)80-54(93)37(17-10-24-71-66(69)70)73-49(89)30-72-53(92)40(29-50(90)91)76-61(100)45-18-11-25-83(45)63(102)41(77-58(43)97)28-36-14-6-5-7-15-36/h5-7,14-15,34-35,37-47,51-52,86-87H,4,8-13,16-33,67H2,1-3H3,(H2,68,88)(H,72,92)(H,73,89)(H,74,99)(H,75,101)(H,76,100)(H,77,97)(H,78,94)(H,79,95)(H,80,93)(H,81,96)(H,82,98)(H,90,91)(H4,69,70,71)/t34-,35+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-,52-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.33E+3 -7.60n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21739
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N20O18S2/c1-6-34(3)50-61(101)81-43-32-106-107-33-44(80-54(94)38(18-11-23-72-66(68)69)75-48(90)30-74-53(93)40(29-49(91)92)77-59(99)45-20-13-25-85(45)63(103)41(78-57(43)97)28-37-16-9-8-10-17-37)58(98)84-52(36(5)89)62(102)76-39(19-12-24-73-67(70)71)55(95)79-42(31-88)56(96)83-51(35(4)7-2)65(105)87-27-15-22-47(87)64(104)86-26-14-21-46(86)60(100)82-50/h8-10,16-17,34-36,38-47,50-52,88-89H,6-7,11-15,18-33H2,1-5H3,(H,74,93)(H,75,90)(H,76,102)(H,77,99)(H,78,97)(H,79,95)(H,80,94)(H,81,101)(H,82,100)(H,83,96)(H,84,98)(H,91,92)(H4,68,69,72)(H4,70,71,73)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.75E+3 -7.18n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21740
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C66H102N18O18S2/c1-6-34(3)50-61(98)78-43-32-103-104-33-44(77-54(91)38(19-12-24-70-66(68)69)72-48(87)30-71-53(90)40(29-49(88)89)74-59(96)45-20-13-25-82(45)63(100)41(75-57(43)94)28-37-16-9-8-10-17-37)58(95)81-52(36(5)86)62(99)73-39(18-11-23-67)55(92)76-42(31-85)56(93)80-51(35(4)7-2)65(102)84-27-15-22-47(84)64(101)83-26-14-21-46(83)60(97)79-50/h8-10,16-17,34-36,38-47,50-52,85-86H,6-7,11-15,18-33,67H2,1-5H3,(H,71,90)(H,72,87)(H,73,99)(H,74,96)(H,75,94)(H,76,92)(H,77,91)(H,78,98)(H,79,97)(H,80,93)(H,81,95)(H,88,89)(H4,68,69,70)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.50E+5>-4.86n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM21745
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O
Show InChI InChI=1S/C66H101N19O19S2/c1-4-34(2)51-65(104)85-27-13-20-47(85)64(103)84-26-12-19-46(84)60(99)74-39(21-22-48(68)88)56(95)79-43-32-105-106-33-44(59(98)82-52(35(3)87)62(101)75-38(16-8-9-23-67)55(94)78-42(31-86)57(96)81-51)80-54(93)37(17-10-24-71-66(69)70)73-49(89)30-72-53(92)40(29-50(90)91)76-61(100)45-18-11-25-83(45)63(102)41(77-58(43)97)28-36-14-6-5-7-15-36/h5-7,14-15,34-35,37-47,51-52,86-87H,4,8-13,16-33,67H2,1-3H3,(H2,68,88)(H,72,92)(H,73,89)(H,74,99)(H,75,101)(H,76,100)(H,77,97)(H,78,94)(H,79,95)(H,80,93)(H,81,96)(H,82,98)(H,90,91)(H4,69,70,71)/t34-,35+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-,52-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
>2.50E+6>-3.51n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030054
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371505 | T...)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a 4.70E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030061
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-(DR)-C-NH2 | CHEMBL2371520)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C42H62N14O14S2/c1-20-35(63)55-28(34(44)62)18-71-72-19-29(50-21(2)57)39(67)54-27(15-31(43)58)41(69)56-13-5-7-30(56)40(68)52-24(6-4-12-47-42(45)46)36(64)48-17-32(59)51-26(16-33(60)61)38(66)53-25(37(65)49-20)14-22-8-10-23(70-3)11-9-22/h8-11,20,24-30H,4-7,12-19H2,1-3H3,(H2,43,58)(H2,44,62)(H,48,64)(H,49,65)(H,50,57)(H,51,59)(H,52,68)(H,53,66)(H,54,67)(H,55,63)(H,60,61)(H4,45,46,47)/t20-,24+,25-,26+,27+,28-,29-,30-/m0/s1
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 220n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030039
PNG
(Ac-(D-Pen)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL23715...)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H73N17O14S2/c1-23(65)57-36-43(76)62-30(19-33(48)66)44(77)64-17-7-10-32(64)42(75)60-26(8-5-15-54-45(50)51)38(71)56-21-34(67)58-29(20-35(68)69)41(74)61-28(18-24-11-13-25(78-4)14-12-24)40(73)59-27(9-6-16-55-46(52)53)39(72)63-31(37(49)70)22-79-80-47(36,2)3/h11-14,26-32,36H,5-10,15-22H2,1-4H3,(H2,48,66)(H2,49,70)(H,56,71)(H,57,65)(H,58,67)(H,59,73)(H,60,75)(H,61,74)(H,62,76)(H,63,72)(H,68,69)(H4,50,51,54)(H4,52,53,55)/t26-,27-,28+,29-,30-,31-,32+,36+/m0/s1
PDB

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n/an/a 1n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030065
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-Cit-C-NH2 | CHEMBL2371503)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N16O15S2/c1-22(62)54-31-21-78-77-20-30(36(47)67)60-38(69)26(7-4-14-52-45(50)75)56-39(70)27(16-23-9-11-24(76-2)12-10-23)58-40(71)28(18-35(65)66)55-34(64)19-53-37(68)25(6-3-13-51-44(48)49)57-42(73)32-8-5-15-61(32)43(74)29(17-33(46)63)59-41(31)72/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,63)(H2,47,67)(H,53,68)(H,54,62)(H,55,64)(H,56,70)(H,57,73)(H,58,71)(H,59,72)(H,60,69)(H,65,66)(H4,48,49,51)(H3,50,52,75)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 352n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030041
PNG
(Ac-C-N-P-R-G-D-(Y-OEt)-R-C-NH2 | CHEMBL2371506)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C46H71N17O14S2/c1-3-77-25-12-10-24(11-13-25)17-28-40(72)58-27(8-5-15-54-46(51)52)39(71)62-31(37(48)69)21-78-79-22-32(56-23(2)64)42(74)61-30(18-34(47)65)44(76)63-16-6-9-33(63)43(75)59-26(7-4-14-53-45(49)50)38(70)55-20-35(66)57-29(19-36(67)68)41(73)60-28/h10-13,26-33H,3-9,14-22H2,1-2H3,(H2,47,65)(H2,48,69)(H,55,70)(H,56,64)(H,57,66)(H,58,72)(H,59,75)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
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n/an/a 4n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/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 alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030041
PNG
(Ac-C-N-P-R-G-D-(Y-OEt)-R-C-NH2 | CHEMBL2371506)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C46H71N17O14S2/c1-3-77-25-12-10-24(11-13-25)17-28-40(72)58-27(8-5-15-54-46(51)52)39(71)62-31(37(48)69)21-78-79-22-32(56-23(2)64)42(74)61-30(18-34(47)65)44(76)63-16-6-9-33(63)43(75)59-26(7-4-14-53-45(49)50)38(70)55-20-35(66)57-29(19-36(67)68)41(73)60-28/h10-13,26-33H,3-9,14-22H2,1-2H3,(H2,47,65)(H2,48,69)(H,55,70)(H,56,64)(H,57,66)(H,58,72)(H,59,75)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
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n/an/a 8.40E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(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
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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...


J Med Chem 33: 661-7 (1990)


Article DOI: 10.1021/jm00164a031
BindingDB Entry DOI: 10.7270/Q2251JS8
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030065
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-Cit-C-NH2 | CHEMBL2371503)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N16O15S2/c1-22(62)54-31-21-78-77-20-30(36(47)67)60-38(69)26(7-4-14-52-45(50)75)56-39(70)27(16-23-9-11-24(76-2)12-10-23)58-40(71)28(18-35(65)66)55-34(64)19-53-37(68)25(6-3-13-51-44(48)49)57-42(73)32-8-5-15-61(32)43(74)29(17-33(46)63)59-41(31)72/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,63)(H2,47,67)(H,53,68)(H,54,62)(H,55,64)(H,56,70)(H,57,73)(H,58,71)(H,59,72)(H,60,69)(H,65,66)(H4,48,49,51)(H3,50,52,75)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 3.46E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030039
PNG
(Ac-(D-Pen)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL23715...)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H73N17O14S2/c1-23(65)57-36-43(76)62-30(19-33(48)66)44(77)64-17-7-10-32(64)42(75)60-26(8-5-15-54-45(50)51)38(71)56-21-34(67)58-29(20-35(68)69)41(74)61-28(18-24-11-13-25(78-4)14-12-24)40(73)59-27(9-6-16-55-46(52)53)39(72)63-31(37(49)70)22-79-80-47(36,2)3/h11-14,26-32,36H,5-10,15-22H2,1-4H3,(H2,48,66)(H2,49,70)(H,56,71)(H,57,65)(H,58,67)(H,59,73)(H,60,75)(H,61,74)(H,62,76)(H,63,72)(H,68,69)(H4,50,51,54)(H4,52,53,55)/t26-,27-,28+,29-,30-,31-,32+,36+/m0/s1
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n/an/a 6.80E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030040
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-E-C-NH2 | CHEMBL2371521)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C44H64N14O16S2/c1-21(59)51-30-20-76-75-19-29(36(46)66)57-38(68)25(11-12-34(62)63)53-39(69)26(15-22-7-9-23(74-2)10-8-22)55-40(70)27(17-35(64)65)52-33(61)18-50-37(67)24(5-3-13-49-44(47)48)54-42(72)31-6-4-14-58(31)43(73)28(16-32(45)60)56-41(30)71/h7-10,24-31H,3-6,11-20H2,1-2H3,(H2,45,60)(H2,46,66)(H,50,67)(H,51,59)(H,52,61)(H,53,69)(H,54,72)(H,55,70)(H,56,71)(H,57,68)(H,62,63)(H,64,65)(H4,47,48,49)/t24-,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/a 20n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
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n/an/a 31n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030040
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-E-C-NH2 | CHEMBL2371521)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C44H64N14O16S2/c1-21(59)51-30-20-76-75-19-29(36(46)66)57-38(68)25(11-12-34(62)63)53-39(69)26(15-22-7-9-23(74-2)10-8-22)55-40(70)27(17-35(64)65)52-33(61)18-50-37(67)24(5-3-13-49-44(47)48)54-42(72)31-6-4-14-58(31)43(73)28(16-32(45)60)56-41(30)71/h7-10,24-31H,3-6,11-20H2,1-2H3,(H2,45,60)(H2,46,66)(H,50,67)(H,51,59)(H,52,61)(H,53,69)(H,54,72)(H,55,70)(H,56,71)(H,57,68)(H,62,63)(H,64,65)(H4,47,48,49)/t24-,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/a 9.47E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030035
PNG
(Ac-C-N-P-R-G-D-(p-NO2-F)-R-C-NH2 | CHEMBL2371525)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26-,27+,28-,29-,30-,31-,32+/m0/s1
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n/an/a 4.80E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
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n/an/a 5.10E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030061
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-(DR)-C-NH2 | CHEMBL2371520)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C42H62N14O14S2/c1-20-35(63)55-28(34(44)62)18-71-72-19-29(50-21(2)57)39(67)54-27(15-31(43)58)41(69)56-13-5-7-30(56)40(68)52-24(6-4-12-47-42(45)46)36(64)48-17-32(59)51-26(16-33(60)61)38(66)53-25(37(65)49-20)14-22-8-10-23(70-3)11-9-22/h8-11,20,24-30H,4-7,12-19H2,1-3H3,(H2,43,58)(H2,44,62)(H,48,64)(H,49,65)(H,50,57)(H,51,59)(H,52,68)(H,53,66)(H,54,67)(H,55,63)(H,60,61)(H4,45,46,47)/t20-,24+,25-,26+,27+,28-,29-,30-/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030061
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-(DR)-C-NH2 | CHEMBL2371520)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C42H62N14O14S2/c1-20-35(63)55-28(34(44)62)18-71-72-19-29(50-21(2)57)39(67)54-27(15-31(43)58)41(69)56-13-5-7-30(56)40(68)52-24(6-4-12-47-42(45)46)36(64)48-17-32(59)51-26(16-33(60)61)38(66)53-25(37(65)49-20)14-22-8-10-23(70-3)11-9-22/h8-11,20,24-30H,4-7,12-19H2,1-3H3,(H2,43,58)(H2,44,62)(H,48,64)(H,49,65)(H,50,57)(H,51,59)(H,52,68)(H,53,66)(H,54,67)(H,55,63)(H,60,61)(H4,45,46,47)/t20-,24+,25-,26+,27+,28-,29-,30-/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 alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030045
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-L-C-NH2 | CHEMBL2371548)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N14O14S2/c1-22(2)15-27-39(67)58-31(37(47)65)20-74-75-21-32(52-23(3)60)42(70)57-30(17-34(46)61)44(72)59-14-6-8-33(59)43(71)54-26(7-5-13-50-45(48)49)38(66)51-19-35(62)53-29(18-36(63)64)41(69)56-28(40(68)55-27)16-24-9-11-25(73-4)12-10-24/h9-12,22,26-33H,5-8,13-21H2,1-4H3,(H2,46,61)(H2,47,65)(H,51,66)(H,52,60)(H,53,62)(H,54,71)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,63,64)(H4,48,49,50)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
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n/an/a 7.14E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
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n/an/a 2.34E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030065
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-Cit-C-NH2 | CHEMBL2371503)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N16O15S2/c1-22(62)54-31-21-78-77-20-30(36(47)67)60-38(69)26(7-4-14-52-45(50)75)56-39(70)27(16-23-9-11-24(76-2)12-10-23)58-40(71)28(18-35(65)66)55-34(64)19-53-37(68)25(6-3-13-51-44(48)49)57-42(73)32-8-5-15-61(32)43(74)29(17-33(46)63)59-41(31)72/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,63)(H2,47,67)(H,53,68)(H,54,62)(H,55,64)(H,56,70)(H,57,73)(H,58,71)(H,59,72)(H,60,69)(H,65,66)(H4,48,49,51)(H3,50,52,75)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 440n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030054
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371505 | T...)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 8.20E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030045
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-L-C-NH2 | CHEMBL2371548)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N14O14S2/c1-22(2)15-27-39(67)58-31(37(47)65)20-74-75-21-32(52-23(3)60)42(70)57-30(17-34(46)61)44(72)59-14-6-8-33(59)43(71)54-26(7-5-13-50-45(48)49)38(66)51-19-35(62)53-29(18-36(63)64)41(69)56-28(40(68)55-27)16-24-9-11-25(73-4)12-10-24/h9-12,22,26-33H,5-8,13-21H2,1-4H3,(H2,46,61)(H2,47,65)(H,51,66)(H,52,60)(H,53,62)(H,54,71)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,63,64)(H4,48,49,50)/t26-,27-,28+,29-,30-,31-,32-,33+/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 alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030039
PNG
(Ac-(D-Pen)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL23715...)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H73N17O14S2/c1-23(65)57-36-43(76)62-30(19-33(48)66)44(77)64-17-7-10-32(64)42(75)60-26(8-5-15-54-45(50)51)38(71)56-21-34(67)58-29(20-35(68)69)41(74)61-28(18-24-11-13-25(78-4)14-12-24)40(73)59-27(9-6-16-55-46(52)53)39(72)63-31(37(49)70)22-79-80-47(36,2)3/h11-14,26-32,36H,5-10,15-22H2,1-4H3,(H2,48,66)(H2,49,70)(H,56,71)(H,57,65)(H,58,67)(H,59,73)(H,60,75)(H,61,74)(H,62,76)(H,63,72)(H,68,69)(H4,50,51,54)(H4,52,53,55)/t26-,27-,28+,29-,30-,31-,32+,36+/m0/s1
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n/an/a 6.70E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030054
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371505 | T...)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 29n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
PDB
MMDB

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n/an/a 4.90E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
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...


J Med Chem 33: 661-7 (1990)


Article DOI: 10.1021/jm00164a031
BindingDB Entry DOI: 10.7270/Q2251JS8
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030035
PNG
(Ac-C-N-P-R-G-D-(p-NO2-F)-R-C-NH2 | CHEMBL2371525)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26-,27+,28-,29-,30-,31-,32+/m0/s1
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n/an/a 4.79E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030045
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-L-C-NH2 | CHEMBL2371548)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N14O14S2/c1-22(2)15-27-39(67)58-31(37(47)65)20-74-75-21-32(52-23(3)60)42(70)57-30(17-34(46)61)44(72)59-14-6-8-33(59)43(71)54-26(7-5-13-50-45(48)49)38(66)51-19-35(62)53-29(18-36(63)64)41(69)56-28(40(68)55-27)16-24-9-11-25(73-4)12-10-24/h9-12,22,26-33H,5-8,13-21H2,1-4H3,(H2,46,61)(H2,47,65)(H,51,66)(H,52,60)(H,53,62)(H,54,71)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,63,64)(H4,48,49,50)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
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n/an/a 248n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030041
PNG
(Ac-C-N-P-R-G-D-(Y-OEt)-R-C-NH2 | CHEMBL2371506)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C46H71N17O14S2/c1-3-77-25-12-10-24(11-13-25)17-28-40(72)58-27(8-5-15-54-46(51)52)39(71)62-31(37(48)69)21-78-79-22-32(56-23(2)64)42(74)61-30(18-34(47)65)44(76)63-16-6-9-33(63)43(75)59-26(7-4-14-53-45(49)50)38(70)55-20-35(66)57-29(19-36(67)68)41(73)60-28/h10-13,26-33H,3-9,14-22H2,1-2H3,(H2,47,65)(H2,48,69)(H,55,70)(H,56,64)(H,57,66)(H,58,72)(H,59,75)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t26-,27-,28+,29-,30-,31-,32-,33+/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 alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030035
PNG
(Ac-C-N-P-R-G-D-(p-NO2-F)-R-C-NH2 | CHEMBL2371525)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26-,27+,28-,29-,30-,31-,32+/m0/s1
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n/an/a 17n/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM21740
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C66H102N18O18S2/c1-6-34(3)50-61(98)78-43-32-103-104-33-44(77-54(91)38(19-12-24-70-66(68)69)72-48(87)30-71-53(90)40(29-49(88)89)74-59(96)45-20-13-25-82(45)63(100)41(75-57(43)94)28-37-16-9-8-10-17-37)58(95)81-52(36(5)86)62(99)73-39(18-11-23-67)55(92)76-42(31-85)56(93)80-51(35(4)7-2)65(102)84-27-15-22-47(84)64(101)83-26-14-21-46(83)60(97)79-50/h8-10,16-17,34-36,38-47,50-52,85-86H,6-7,11-15,18-33,67H2,1-5H3,(H,71,90)(H,72,87)(H,73,99)(H,74,96)(H,75,94)(H,76,92)(H,77,91)(H,78,98)(H,79,97)(H,80,93)(H,81,95)(H,88,89)(H4,68,69,70)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
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n/an/an/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030040
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-E-C-NH2 | CHEMBL2371521)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C44H64N14O16S2/c1-21(59)51-30-20-76-75-19-29(36(46)66)57-38(68)25(11-12-34(62)63)53-39(69)26(15-22-7-9-23(74-2)10-8-22)55-40(70)27(17-35(64)65)52-33(61)18-50-37(67)24(5-3-13-49-44(47)48)54-42(72)31-6-4-14-58(31)43(73)28(16-32(45)60)56-41(30)71/h7-10,24-31H,3-6,11-20H2,1-2H3,(H2,45,60)(H2,46,66)(H,50,67)(H,51,59)(H,52,61)(H,53,69)(H,54,72)(H,55,70)(H,56,71)(H,57,68)(H,62,63)(H,64,65)(H4,47,48,49)/t24-,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/a 6.24E+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)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair