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33 similar compounds to monomer 50091754

Compile data set for download or QSAR
Wt: 639.6
BDBM50108219
Wt: 1514.7
BDBM21742
Wt: 2549.7
BDBM50013338
Wt: 2549.7
BDBM50016816
Wt: 280.3
BDBM50013335
Wt: 237.3
BDBM50013336
Wt: 1229.4
BDBM50033569
Wt: 1150.2
BDBM50030044
Wt: 1135.3
BDBM50030050
Wt: 1163.3
BDBM50030062
Wt: 1105.2
BDBM50030064
Wt: 1121.2
BDBM50030068
Wt: 682.7
BDBM50040747
Wt: 681.7
BDBM50040765
Wt: 681.7
BDBM50040763
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50108219,21742,50013338,50016816,50013335,50013336,50033569,50030044,50030050,50030062,50030064,50030068,50040747,50040765,50040763   
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 (Human))
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
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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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50040747
PNG
((3R,4R,7S,13S,16R)-16-Acetylamino-7-carboxymethyl-...)
Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@H](SSC[C@H](NC(C)=O)C1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H38N8O9S2/c1-14(36)32-17-13-45-46-22(15-7-4-3-5-8-15)21(26(43)44)34-23(40)16(11-20(38)39)33-19(37)12-31-24(41)18(35(2)25(17)42)9-6-10-30-27(28)29/h3-5,7-8,16-18,21-22H,6,9-13H2,1-2H3,(H,31,41)(H,32,36)(H,33,37)(H,34,40)(H,38,39)(H,43,44)(H4,28,29,30)/t16-,17-,18-,21-,22+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes


J Med Chem 37: 769-80 (1994)


Article DOI: 10.1021/jm00032a009
BindingDB Entry DOI: 10.7270/Q2445KJB
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50040765
PNG
(CHEMBL168140 | [(3S,4R,7S,13S,16R)-16-Acetylamino-...)
Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](SSC[C@H](NC(C)=O)C1=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C27H39N9O8S2/c1-14(37)33-17-13-45-46-22(15-7-4-3-5-8-15)21(23(28)41)35-24(42)16(11-20(39)40)34-19(38)12-32-25(43)18(36(2)26(17)44)9-6-10-31-27(29)30/h3-5,7-8,16-18,21-22H,6,9-13H2,1-2H3,(H2,28,41)(H,32,43)(H,33,37)(H,34,38)(H,35,42)(H,39,40)(H4,29,30,31)/t16-,17-,18-,21-,22-/m0/s1
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45n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes


J Med Chem 37: 769-80 (1994)


Article DOI: 10.1021/jm00032a009
BindingDB Entry DOI: 10.7270/Q2445KJB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50013336
PNG
(CHEMBL8237)
Show SMILES COc1cc(C(C)C)c(OC)cc1CC(C)N
Show InChI InChI=1/C14H23NO2/c1-9(2)12-8-13(16-4)11(6-10(3)15)7-14(12)17-5/h7-10H,6,15H2,1-5H3
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76n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand


J Med Chem 33: 1032-6 (1990)


Article DOI: 10.1021/jm00165a023
BindingDB Entry DOI: 10.7270/Q2319Z37
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50040763
PNG
(CHEMBL349052 | [(3R,4R,7S,13S,16R)-16-Acetylamino-...)
Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@H](SSC[C@H](NC(C)=O)C1=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C27H39N9O8S2/c1-14(37)33-17-13-45-46-22(15-7-4-3-5-8-15)21(23(28)41)35-24(42)16(11-20(39)40)34-19(38)12-32-25(43)18(36(2)26(17)44)9-6-10-31-27(29)30/h3-5,7-8,16-18,21-22H,6,9-13H2,1-2H3,(H2,28,41)(H,32,43)(H,33,37)(H,34,38)(H,35,42)(H,39,40)(H4,29,30,31)/t16-,17-,18-,21-,22+/m0/s1
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125n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes


J Med Chem 37: 769-80 (1994)


Article DOI: 10.1021/jm00032a009
BindingDB Entry DOI: 10.7270/Q2445KJB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50013335
PNG
(CHEMBL416514)
Show SMILES CCCNC(=O)c1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1/C15H24N2O3/c1-5-6-17-15(18)12-9-13(19-3)11(7-10(2)16)8-14(12)20-4/h8-10H,5-7,16H2,1-4H3,(H,17,18)
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7.55E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand


J Med Chem 33: 1032-6 (1990)


Article DOI: 10.1021/jm00165a023
BindingDB Entry DOI: 10.7270/Q2319Z37
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM21742
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](CCCCN)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](CCCNC(N)=O)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1/C67H103N17O19S2/c1-6-35(3)51-62(98)78-44-33-104-105-34-45(77-55(91)39(20-13-25-70-67(69)103)72-49(87)31-71-54(90)41(30-50(88)89)74-60(96)46-21-14-26-82(46)64(100)42(75-58(44)94)29-38-17-9-8-10-18-38)59(95)81-53(37(5)86)63(99)73-40(19-11-12-24-68)56(92)76-43(32-85)57(93)80-52(36(4)7-2)66(102)84-28-16-23-48(84)65(101)83-27-15-22-47(83)61(97)79-51/h8-10,17-18,35-37,39-48,51-53,85-86H,6-7,11-16,19-34,68H2,1-5H3,(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)(H3,69,70,103)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/s2
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2.25E+4 -6.27n/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))
BDBM21742
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](CCCCN)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](CCCNC(N)=O)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1/C67H103N17O19S2/c1-6-35(3)51-62(98)78-44-33-104-105-34-45(77-55(91)39(20-13-25-70-67(69)103)72-49(87)31-71-54(90)41(30-50(88)89)74-60(96)46-21-14-26-82(46)64(100)42(75-58(44)94)29-38-17-9-8-10-18-38)59(95)81-53(37(5)86)63(99)73-40(19-11-12-24-68)56(92)76-43(32-85)57(93)80-52(36(4)7-2)66(102)84-28-16-23-48(84)65(101)83-27-15-22-47(83)61(97)79-51/h8-10,17-18,35-37,39-48,51-53,85-86H,6-7,11-16,19-34,68H2,1-5H3,(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)(H3,69,70,103)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/s2
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8.27E+5 -4.16n/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 (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 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)


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 (Human))
BDBM50030044
PNG
(Ac-C-I-P-R-G-D-(p-NO2-F)-R-C-NH2 | CHEMBL407799)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)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/C46H71N17O14S2/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(14-12-25)63(76)77)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-78-79-22-32(42(73)61-36)55-24(3)64/h11-14,23,27-33,36H,4-10,15-22H2,1-3H3,(H19,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,64,65,66,67,68,69,70,71,72,73,74)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/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)


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))
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 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)


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))
BDBM50030044
PNG
(Ac-C-I-P-R-G-D-(p-NO2-F)-R-C-NH2 | CHEMBL407799)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)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/C46H71N17O14S2/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(14-12-25)63(76)77)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-78-79-22-32(42(73)61-36)55-24(3)64/h11-14,23,27-33,36H,4-10,15-22H2,1-3H3,(H19,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,64,65,66,67,68,69,70,71,72,73,74)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 430n/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 (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 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
ITGAV/ITGB5


(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 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 (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>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
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.


J Med Chem 40: 3359-68 (1997)


Article DOI: 10.1021/jm970175s
BindingDB Entry DOI: 10.7270/Q298889J
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.


J Med Chem 40: 3359-68 (1997)


Article DOI: 10.1021/jm970175s
BindingDB Entry DOI: 10.7270/Q298889J
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>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)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
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
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay


Bioorg Med Chem Lett 12: 2913-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00597-8
BindingDB Entry DOI: 10.7270/Q2X34WT2
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay


Bioorg Med Chem Lett 12: 2913-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00597-8
BindingDB Entry DOI: 10.7270/Q2X34WT2
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay


Bioorg Med Chem Lett 12: 137-40 (2001)


Article DOI: 10.1016/s0960-894x(01)00711-9
BindingDB Entry DOI: 10.7270/Q2QN6825
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 137-40 (2001)


Article DOI: 10.1016/s0960-894x(01)00711-9
BindingDB Entry DOI: 10.7270/Q2QN6825
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)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030044
PNG
(Ac-C-I-P-R-G-D-(p-NO2-F)-R-C-NH2 | CHEMBL407799)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)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/C46H71N17O14S2/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(14-12-25)63(76)77)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-78-79-22-32(42(73)61-36)55-24(3)64/h11-14,23,27-33,36H,4-10,15-22H2,1-3H3,(H19,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,64,65,66,67,68,69,70,71,72,73,74)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 1.20E+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