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23 similar compounds to monomer 50091751

Wt: 2375.6
BDBM50013335
Wt: 2906.2
BDBM50013336
Wt: 2549.7
BDBM50013338
Wt: 2549.7
BDBM50016816
Wt: 2360.6
BDBM50013343
Wt: 1229.4
BDBM50033569
Wt: 1135.3
BDBM50030050
Wt: 1105.2
BDBM50030064
Wt: 1121.2
BDBM50030068
Wt: 682.7
BDBM50040747
Wt: 1309.5
BDBM50040129
Wt: 753.8
BDBM50060225
Wt: 912.0
BDBM50060211
Wt: 737.8
BDBM50060177
Wt: 994.1
BDBM50075818
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50013335,50013336,50013338,50016816,50013343,50033569,50030050,50030064,50030068,50040747,50040129,50060225,50060211,50060177,50075818   
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
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KEGG

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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


Citation and Details
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
PDB

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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


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50060211
PNG
(8-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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/C36H53N11O11S3/c1-18(41-31(53)23(15-59)44-29(51)20(37)13-19-7-3-2-4-8-19)28(50)42-21(9-5-11-40-36(38)39)30(52)45-24-16-60-61-17-25(35(57)58)46-33(55)26-10-6-12-47(26)34(56)22(14-27(48)49)43-32(24)54/h2-4,7-8,18,20-26,59H,5-6,9-17,37H2,1H3,(H,41,53)(H,42,50)(H,43,54)(H,44,51)(H,45,52)(H,46,55)(H,48,49)(H,57,58)(H4,38,39,40)/t18-,20-,21-,22-,23-,24-,25-,26-/m0/s1
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n/an/a 40n/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)

More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50060225
PNG
((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)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/C30H43N9O10S2/c31-17(11-15-5-7-16(40)8-6-15)24(43)35-18(3-1-9-34-30(32)33)25(44)37-20-13-50-51-14-21(29(48)49)38-27(46)22-4-2-10-39(22)28(47)19(12-23(41)42)36-26(20)45/h5-8,17-22,40H,1-4,9-14,31H2,(H,35,43)(H,36,45)(H,37,44)(H,38,46)(H,41,42)(H,48,49)(H4,32,33,34)/t17-,18-,19-,20-,21-,22-/m0/s1
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n/an/a 110n/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)

More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50060177
PNG
((5S,8R,13R,15aS)-8-[(S)-2-((S)-2-Amino-3-phenyl-pr...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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/C30H43N9O9S2/c31-17(12-16-6-2-1-3-7-16)24(42)35-18(8-4-10-34-30(32)33)25(43)37-20-14-49-50-15-21(29(47)48)38-27(45)22-9-5-11-39(22)28(46)19(13-23(40)41)36-26(20)44/h1-3,6-7,17-22H,4-5,8-15,31H2,(H,35,42)(H,36,44)(H,37,43)(H,38,45)(H,40,41)(H,47,48)(H4,32,33,34)/t17-,18-,19-,20-,21-,22-/m0/s1
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n/an/a 2.10E+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)

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
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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)


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
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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 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)
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 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
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
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
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50060177
PNG
((5S,8R,13R,15aS)-8-[(S)-2-((S)-2-Amino-3-phenyl-pr...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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/C30H43N9O9S2/c31-17(12-16-6-2-1-3-7-16)24(42)35-18(8-4-10-34-30(32)33)25(43)37-20-14-49-50-15-21(29(47)48)38-27(45)22-9-5-11-39(22)28(46)19(13-23(40)41)36-26(20)44/h1-3,6-7,17-22H,4-5,8-15,31H2,(H,35,42)(H,36,44)(H,37,43)(H,38,45)(H,40,41)(H,47,48)(H4,32,33,34)/t17-,18-,19-,20-,21-,22-/m0/s1
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n/an/a 1.00E+5n/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)

More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50060225
PNG
((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)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/C30H43N9O10S2/c31-17(11-15-5-7-16(40)8-6-15)24(43)35-18(3-1-9-34-30(32)33)25(44)37-20-13-50-51-14-21(29(48)49)38-27(46)22-4-2-10-39(22)28(47)19(12-23(41)42)36-26(20)45/h5-8,17-22,40H,1-4,9-14,31H2,(H,35,43)(H,36,45)(H,37,44)(H,38,46)(H,41,42)(H,48,49)(H4,32,33,34)/t17-,18-,19-,20-,21-,22-/m0/s1
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n/an/a 6.00E+3n/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)

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


(GUINEA PIG)
BDBM50040129
PNG
(CHEMBL408497 | Phe-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H88N20O12S2/c1-3-32(2)45-52(86)73-38(20-12-24-67-57(63)64)53(87)77-25-13-21-42(77)51(85)75-41(54(88)89)31-91-90-30-40(50(84)72-36(18-10-22-65-55(59)60)47(81)71-37(48(82)76-45)19-11-23-66-56(61)62)74-49(83)39(27-34-16-8-5-9-17-34)70-44(79)29-68-43(78)28-69-46(80)35(58)26-33-14-6-4-7-15-33/h4-9,14-17,32,35-42,45H,3,10-13,18-31,58H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,84)(H,73,86)(H,74,83)(H,75,85)(H,76,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32-,35-,36+,37-,38-,39-,40+,41+,42+,45+/m0/s1
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n/an/a 61n/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


(Homo sapiens (human))
BDBM50040129
PNG
(CHEMBL408497 | Phe-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H88N20O12S2/c1-3-32(2)45-52(86)73-38(20-12-24-67-57(63)64)53(87)77-25-13-21-42(77)51(85)75-41(54(88)89)31-91-90-30-40(50(84)72-36(18-10-22-65-55(59)60)47(81)71-37(48(82)76-45)19-11-23-66-56(61)62)74-49(83)39(27-34-16-8-5-9-17-34)70-44(79)29-68-43(78)28-69-46(80)35(58)26-33-14-6-4-7-15-33/h4-9,14-17,32,35-42,45H,3,10-13,18-31,58H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,84)(H,73,86)(H,74,83)(H,75,85)(H,76,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32-,35-,36+,37-,38-,39-,40+,41+,42+,45+/m0/s1
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n/an/a 389n/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


(Cavia porcellus (domestic guinea pig))
BDBM50040129
PNG
(CHEMBL408497 | Phe-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H88N20O12S2/c1-3-32(2)45-52(86)73-38(20-12-24-67-57(63)64)53(87)77-25-13-21-42(77)51(85)75-41(54(88)89)31-91-90-30-40(50(84)72-36(18-10-22-65-55(59)60)47(81)71-37(48(82)76-45)19-11-23-66-56(61)62)74-49(83)39(27-34-16-8-5-9-17-34)70-44(79)29-68-43(78)28-69-46(80)35(58)26-33-14-6-4-7-15-33/h4-9,14-17,32,35-42,45H,3,10-13,18-31,58H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,84)(H,73,86)(H,74,83)(H,75,85)(H,76,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32-,35-,36+,37-,38-,39-,40+,41+,42+,45+/m0/s1
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n/an/a 15n/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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50040129
PNG
(CHEMBL408497 | Phe-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H88N20O12S2/c1-3-32(2)45-52(86)73-38(20-12-24-67-57(63)64)53(87)77-25-13-21-42(77)51(85)75-41(54(88)89)31-91-90-30-40(50(84)72-36(18-10-22-65-55(59)60)47(81)71-37(48(82)76-45)19-11-23-66-56(61)62)74-49(83)39(27-34-16-8-5-9-17-34)70-44(79)29-68-43(78)28-69-46(80)35(58)26-33-14-6-4-7-15-33/h4-9,14-17,32,35-42,45H,3,10-13,18-31,58H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,84)(H,73,86)(H,74,83)(H,75,85)(H,76,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32-,35-,36+,37-,38-,39-,40+,41+,42+,45+/m0/s1
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n/an/a>1.00E+4n/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
Delta-type opioid receptor


(MOUSE)
BDBM50040129
PNG
(CHEMBL408497 | Phe-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H88N20O12S2/c1-3-32(2)45-52(86)73-38(20-12-24-67-57(63)64)53(87)77-25-13-21-42(77)51(85)75-41(54(88)89)31-91-90-30-40(50(84)72-36(18-10-22-65-55(59)60)47(81)71-37(48(82)76-45)19-11-23-66-56(61)62)74-49(83)39(27-34-16-8-5-9-17-34)70-44(79)29-68-43(78)28-69-46(80)35(58)26-33-14-6-4-7-15-33/h4-9,14-17,32,35-42,45H,3,10-13,18-31,58H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,84)(H,73,86)(H,74,83)(H,75,85)(H,76,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32-,35-,36+,37-,38-,39-,40+,41+,42+,45+/m0/s1
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n/an/a>3.00E+3n/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
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50075818
PNG
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1
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n/an/an/a 421n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50075818
PNG
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1
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n/an/an/a 8n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor


Citation and Details
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)
BDBM50013336
PNG
(CHEMBL412785 | r-ANF (99-126)(Atrial Natriuretic F...)
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](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C122H193N41O38S2/c1-10-61(7)95-116(198)142-49-90(173)143-63(9)97(179)147-73(34-35-87(124)170)104(186)157-81(53-165)101(183)141-50-92(175)145-74(40-59(3)4)99(181)140-51-93(176)146-85(114(196)154-78(45-88(125)171)109(191)159-82(54-166)111(193)153-77(43-65-24-16-13-17-25-65)108(190)149-70(27-19-37-135-120(128)129)102(184)156-80(118(200)201)44-66-30-32-67(169)33-31-66)57-202-203-58-86(161-113(195)84(56-168)160-112(194)83(55-167)158-103(185)71(28-20-38-136-121(130)131)148-107(189)75(41-60(5)6)151-98(180)68(123)52-164)115(197)152-76(42-64-22-14-12-15-23-64)100(182)139-47-89(172)138-48-91(174)144-69(26-18-36-134-119(126)127)105(187)163-96(62(8)11-2)117(199)155-79(46-94(177)178)110(192)150-72(106(188)162-95)29-21-39-137-122(132)133/h12-17,22-25,30-33,59-63,68-86,95-96,164-169H,10-11,18-21,26-29,34-58,123H2,1-9H3,(H2,124,170)(H2,125,171)(H,138,172)(H,139,182)(H,140,181)(H,141,183)(H,142,198)(H,143,173)(H,144,174)(H,145,175)(H,146,176)(H,147,179)(H,148,189)(H,149,190)(H,150,192)(H,151,180)(H,152,197)(H,153,193)(H,154,196)(H,155,199)(H,156,184)(H,157,186)(H,158,185)(H,159,191)(H,160,194)(H,161,195)(H,162,188)(H,163,187)(H,177,178)(H,200,201)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,95-,96-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.0430n/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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 C


(Mus musculus)
BDBM50013336
PNG
(CHEMBL412785 | r-ANF (99-126)(Atrial Natriuretic F...)
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](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C122H193N41O38S2/c1-10-61(7)95-116(198)142-49-90(173)143-63(9)97(179)147-73(34-35-87(124)170)104(186)157-81(53-165)101(183)141-50-92(175)145-74(40-59(3)4)99(181)140-51-93(176)146-85(114(196)154-78(45-88(125)171)109(191)159-82(54-166)111(193)153-77(43-65-24-16-13-17-25-65)108(190)149-70(27-19-37-135-120(128)129)102(184)156-80(118(200)201)44-66-30-32-67(169)33-31-66)57-202-203-58-86(161-113(195)84(56-168)160-112(194)83(55-167)158-103(185)71(28-20-38-136-121(130)131)148-107(189)75(41-60(5)6)151-98(180)68(123)52-164)115(197)152-76(42-64-22-14-12-15-23-64)100(182)139-47-89(172)138-48-91(174)144-69(26-18-36-134-119(126)127)105(187)163-96(62(8)11-2)117(199)155-79(46-94(177)178)110(192)150-72(106(188)162-95)29-21-39-137-122(132)133/h12-17,22-25,30-33,59-63,68-86,95-96,164-169H,10-11,18-21,26-29,34-58,123H2,1-9H3,(H2,124,170)(H2,125,171)(H,138,172)(H,139,182)(H,140,181)(H,141,183)(H,142,198)(H,143,173)(H,144,174)(H,145,175)(H,146,176)(H,147,179)(H,148,189)(H,149,190)(H,150,192)(H,151,180)(H,152,197)(H,153,193)(H,154,196)(H,155,199)(H,156,184)(H,157,186)(H,158,185)(H,159,191)(H,160,194)(H,161,195)(H,162,188)(H,163,187)(H,177,178)(H,200,201)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,95-,96-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.130n/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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PC sid
UniChem

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PubMed
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
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)


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

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GoogleScholar
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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...


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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UniChem

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PubMed
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