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20 similar compounds to monomer 50125958

Compile data set for download or QSAR
Wt: 841.8
BDBM20271
Wt: 3226.6
BDBM50004969
Wt: 3139.6
BDBM50004981
Wt: 2095.2
BDBM50013353
Wt: 1338.5
BDBM50034119
Wt: 1739.9
BDBM50031377
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Wt: 2610.5
BDBM50069336
Wt: 1116.0
BDBM50072860
Wt: 999.9
BDBM50087242
Wt: 1849.1
BDBM50091671
Wt: 845.7
BDBM50088893
Wt: 660.5
BDBM50148012
Wt: 1050.0
BDBM50162445
Wt: 1065.1
BDBM50191245
Wt: 331.2
BDBM50017429
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Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 20271,50004969,50004981,50013353,50034119,50031377,50069336,50072860,50087242,50091671,50088893,50148012,50162445,50191245,50017429   
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20271
PNG
((4S)-4-{[(1S,2S)-1-{[(1S)-1-carbamoyl-2-methylprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C36H56N7O14P/c1-18(2)16-26(40-33(50)25(38-21(6)45)17-22-9-11-23(12-10-22)57-58(54,55)56)36(53)43-15-7-8-27(43)34(51)39-24(13-14-28(46)47)32(49)42-30(20(5)44)35(52)41-29(19(3)4)31(37)48/h9-12,18-20,24-27,29-30,44H,7-8,13-17H2,1-6H3,(H2,37,48)(H,38,45)(H,39,51)(H,40,50)(H,41,52)(H,42,49)(H,46,47)(H2,54,55,56)/t20?,24-,25-,26-,27-,29-,30-/m0/s1
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n/an/a>6.00E+3n/an/an/an/a7.822



The University of Texas at Houston



Assay Description
His10-Stat3 was expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P...


Bioorg Med Chem Lett 13: 633-6 (2003)


Article DOI: 10.1016/S0960-894X(02)01050-8
BindingDB Entry DOI: 10.7270/Q2K35RX1
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013353
PNG
(CHEMBL2371374 | Thr-Asp-Phe-Phe-Glu-Cys-Arg-Ser-Th...)
Show SMILES CC(C)CC(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)C(C)O)[C@@H](C)O)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C91H135N23O32S/c1-41(2)30-60(90(145)146)108-82(137)58(35-67(124)125)105-80(135)57(34-64(92)120)107-87(142)70(42(3)4)113-88(143)71(43(5)6)112-74(129)45(8)98-65(121)37-97-73(128)44(7)99-77(132)54(33-50-23-25-51(119)26-24-50)104-83(138)61(38-115)110-89(144)72(47(10)118)114-84(139)62(39-116)109-75(130)52(22-17-29-96-91(94)95)100-85(140)63(40-147)111-76(131)53(27-28-66(122)123)101-78(133)55(31-48-18-13-11-14-19-48)102-79(134)56(32-49-20-15-12-16-21-49)103-81(136)59(36-68(126)127)106-86(141)69(93)46(9)117/h11-16,18-21,23-26,41-47,52-63,69-72,115-119,147H,17,22,27-40,93H2,1-10H3,(H2,92,120)(H,97,128)(H,98,121)(H,99,132)(H,100,140)(H,101,133)(H,102,134)(H,103,136)(H,104,138)(H,105,135)(H,106,141)(H,107,142)(H,108,137)(H,109,130)(H,110,144)(H,111,131)(H,112,129)(H,113,143)(H,114,139)(H,122,123)(H,124,125)(H,126,127)(H,145,146)(H4,94,95,96)/t44-,45-,46?,47+,52-,53-,54-,55-,56-,57-,58-,59-,60?,61-,62-,63-,69-,70-,71-,72-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004981
PNG
(CHEMBL264522 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C141H232N42O39/c1-19-73(13)110(181-116(200)77(17)160-125(209)99(63-107(193)194)169-115(199)75(15)159-117(201)84(144)59-80-38-42-82(187)43-39-80)137(221)176-97(60-79-31-22-21-23-32-79)131(215)183-112(78(18)186)138(222)177-98(62-105(147)191)130(214)179-102(67-185)134(218)173-96(61-81-40-44-83(188)45-41-81)129(213)167-89(37-30-54-157-141(153)154)120(204)166-87(34-25-27-51-143)124(208)180-109(72(11)12)135(219)175-92(55-68(3)4)118(202)158-65-106(192)162-90(46-48-103(145)189)122(206)171-95(58-71(9)10)128(212)178-101(66-184)133(217)161-76(16)114(198)164-88(36-29-53-156-140(151)152)119(203)165-86(33-24-26-50-142)121(205)170-94(57-70(7)8)127(211)172-93(56-69(5)6)126(210)168-91(47-49-104(146)190)123(207)174-100(64-108(195)196)132(216)182-111(74(14)20-2)136(220)163-85(113(148)197)35-28-52-155-139(149)150/h21-23,31-32,38-45,68-78,84-102,109-112,184-188H,19-20,24-30,33-37,46-67,142-144H2,1-18H3,(H2,145,189)(H2,146,190)(H2,147,191)(H2,148,197)(H,158,202)(H,159,201)(H,160,209)(H,161,217)(H,162,192)(H,163,220)(H,164,198)(H,165,203)(H,166,204)(H,167,213)(H,168,210)(H,169,199)(H,170,205)(H,171,206)(H,172,211)(H,173,218)(H,174,207)(H,175,219)(H,176,221)(H,177,222)(H,178,212)(H,179,214)(H,180,208)(H,181,200)(H,182,216)(H,183,215)(H,193,194)(H,195,196)(H4,149,150,155)(H4,151,152,156)(H4,153,154,157)/t73-,74-,75-,76-,77-,78+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,109-,110-,111-,112-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


Article DOI: 10.1021/jm00088a023
BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013353
PNG
(CHEMBL2371374 | Thr-Asp-Phe-Phe-Glu-Cys-Arg-Ser-Th...)
Show SMILES CC(C)CC(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)C(C)O)[C@@H](C)O)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C91H135N23O32S/c1-41(2)30-60(90(145)146)108-82(137)58(35-67(124)125)105-80(135)57(34-64(92)120)107-87(142)70(42(3)4)113-88(143)71(43(5)6)112-74(129)45(8)98-65(121)37-97-73(128)44(7)99-77(132)54(33-50-23-25-51(119)26-24-50)104-83(138)61(38-115)110-89(144)72(47(10)118)114-84(139)62(39-116)109-75(130)52(22-17-29-96-91(94)95)100-85(140)63(40-147)111-76(131)53(27-28-66(122)123)101-78(133)55(31-48-18-13-11-14-19-48)102-79(134)56(32-49-20-15-12-16-21-49)103-81(136)59(36-68(126)127)106-86(141)69(93)46(9)117/h11-16,18-21,23-26,41-47,52-63,69-72,115-119,147H,17,22,27-40,93H2,1-10H3,(H2,92,120)(H,97,128)(H,98,121)(H,99,132)(H,100,140)(H,101,133)(H,102,134)(H,103,136)(H,104,138)(H,105,135)(H,106,141)(H,107,142)(H,108,137)(H,109,130)(H,110,144)(H,111,131)(H,112,129)(H,113,143)(H,114,139)(H,122,123)(H,124,125)(H,126,127)(H,145,146)(H4,94,95,96)/t44-,45-,46?,47+,52-,53-,54-,55-,56-,57-,58-,59-,60?,61-,62-,63-,69-,70-,71-,72-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM50034119
PNG
(CHEMBL385245 | Tyr-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C61H99N19O15/c1-8-31(5)47(78-51(87)38(62)27-34-14-18-36(82)19-15-34)57(93)77-44(29-46(64)85)55(91)76-43(26-30(3)4)56(92)79-48(32(6)9-2)58(94)80-49(33(7)81)59(95)74-40(13-11-25-71-61(68)69)52(88)73-41(22-23-45(63)84)54(90)72-39(12-10-24-70-60(66)67)53(89)75-42(50(65)86)28-35-16-20-37(83)21-17-35/h14-21,30-33,38-44,47-49,81-83H,8-13,22-29,62H2,1-7H3,(H2,63,84)(H2,64,85)(H2,65,86)(H,72,90)(H,73,88)(H,74,95)(H,75,89)(H,76,91)(H,77,93)(H,78,87)(H,79,92)(H,80,94)(H4,66,67,70)(H4,68,69,71)/t31-,32-,33+,38-,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
50% displacement of specifically bound [3H]-NPY2 from rat brain membranes.


J Med Chem 38: 1150-7 (1995)


Article DOI: 10.1021/jm00007a012
BindingDB Entry DOI: 10.7270/Q2513X8D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50031377
PNG
(CHEMBL407378 | SFLLRDPQDKYEPF-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C81H118N20O23/c1-43(2)34-53(93-71(114)54(35-44(3)4)94-73(116)55(92-67(110)49(83)42-102)36-45-16-7-5-8-17-45)70(113)90-51(21-13-31-88-81(86)87)69(112)98-59(40-64(85)105)79(122)101-33-15-22-61(101)76(119)97-57(39-63(84)104)74(117)96-58(41-66(108)109)75(118)89-50(20-11-12-30-82)68(111)95-56(37-47-24-26-48(103)27-25-47)72(115)91-52(28-29-65(106)107)78(121)100-32-14-23-62(100)77(120)99-60(80(123)124)38-46-18-9-6-10-19-46/h5-10,16-19,24-27,43-44,49-62,102-103H,11-15,20-23,28-42,82-83H2,1-4H3,(H2,84,104)(H2,85,105)(H,89,118)(H,90,113)(H,91,115)(H,92,110)(H,93,114)(H,94,116)(H,95,111)(H,96,117)(H,97,119)(H,98,112)(H,99,120)(H,106,107)(H,108,109)(H,123,124)(H4,86,87,88)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62+/m0/s1
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n/an/an/an/a 1.03E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


J Med Chem 38: 4125-30 (1995)


Article DOI: 10.1021/jm00020a029
BindingDB Entry DOI: 10.7270/Q21J98SG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50017429
PNG
(CHEMBL3288297)
Show SMILES Brc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Show InChI InChI=1S/C17H15BrO2/c18-14-6-4-12(5-7-14)11-20-15-8-9-16-13(10-15)2-1-3-17(16)19/h4-10H,1-3,11H2
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n/an/a 311n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate assessed as 4-hydroxyquinoline production after 30 mins by fluorescence spectroph...


Bioorg Med Chem Lett 24: 2758-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.021
BindingDB Entry DOI: 10.7270/Q2K93936
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50017429
PNG
(CHEMBL3288297)
Show SMILES Brc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Show InChI InChI=1S/C17H15BrO2/c18-14-6-4-12(5-7-14)11-20-15-8-9-16-13(10-15)2-1-3-17(16)19/h4-10H,1-3,11H2
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n/an/a 9n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as 4-hydroxyquinoline production after 30 mins by fluorescence spectroph...


Bioorg Med Chem Lett 24: 2758-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.021
BindingDB Entry DOI: 10.7270/Q2K93936
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50072860
PNG
(Asp-Asp-Pro-Ser-pTyr-Val-Asn-Val-Gln | CHEMBL41223...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C44H66N11O21P/c1-19(2)34(41(68)48-24(44(71)72)11-12-30(46)57)54-38(65)26(16-31(47)58)50-42(69)35(20(3)4)53-37(64)25(14-21-7-9-22(10-8-21)76-77(73,74)75)49-39(66)28(18-56)52-40(67)29-6-5-13-55(29)43(70)27(17-33(61)62)51-36(63)23(45)15-32(59)60/h7-10,19-20,23-29,34-35,56H,5-6,11-18,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,68)(H,49,66)(H,50,69)(H,51,63)(H,52,67)(H,53,64)(H,54,65)(H,59,60)(H,61,62)(H,71,72)(H2,73,74,75)/t23-,24-,25-,26-,27-,28-,29-,34-,35-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding


J Med Chem 42: 25-35 (1999)


Article DOI: 10.1021/jm980388x
BindingDB Entry DOI: 10.7270/Q2FT8K6P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069336
PNG
(CHEMBL439120 | NELNLGRREE | NQLPpYNELNLGRREEpYDVLD)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C106H166N30O43P2/c1-48(2)36-64(125-99(165)70(44-78(111)140)128-94(160)65(37-49(3)4)126-91(157)63(28-32-82(146)147)124-98(164)69(43-77(110)139)129-97(163)68(41-54-19-23-56(24-20-54)179-181(175,176)177)131-101(167)74-16-13-35-136(74)103(169)72(39-51(7)8)133-93(159)60(25-29-75(108)137)120-86(152)57(107)42-76(109)138)87(153)118-47-79(141)119-58(14-11-33-116-105(112)113)88(154)121-59(15-12-34-117-106(114)115)89(155)122-61(26-30-80(142)143)90(156)123-62(27-31-81(144)145)92(158)127-67(40-53-17-21-55(22-18-53)178-180(172,173)174)96(162)130-71(45-83(148)149)100(166)135-85(52(9)10)102(168)132-66(38-50(5)6)95(161)134-73(104(170)171)46-84(150)151/h17-24,48-52,57-74,85H,11-16,25-47,107H2,1-10H3,(H2,108,137)(H2,109,138)(H2,110,139)(H2,111,140)(H,118,153)(H,119,141)(H,120,152)(H,121,154)(H,122,155)(H,123,156)(H,124,164)(H,125,165)(H,126,157)(H,127,158)(H,128,160)(H,129,163)(H,130,162)(H,131,167)(H,132,168)(H,133,159)(H,134,161)(H,135,166)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,170,171)(H4,112,113,116)(H4,114,115,117)(H2,172,173,174)(H2,175,176,177)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Preclinical Research Novartis

Curated by ChEMBL


Assay Description
Inhibition of binding to human ZAP-70 SH2 domain


Bioorg Med Chem Lett 8: 405-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00043-2
BindingDB Entry DOI: 10.7270/Q2VT1R78
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50191245
PNG
(CHEMBL409617 | H-GYSAGERIVD-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C45H72N14O16/c1-6-22(4)36(44(75)58-35(21(2)3)43(74)56-28(37(47)68)17-34(66)67)59-40(71)26(8-7-15-50-45(48)49)55-39(70)27(13-14-33(64)65)53-32(63)19-51-38(69)23(5)52-42(73)30(20-60)57-41(72)29(54-31(62)18-46)16-24-9-11-25(61)12-10-24/h9-12,21-23,26-30,35-36,60-61H,6-8,13-20,46H2,1-5H3,(H2,47,68)(H,51,69)(H,52,73)(H,53,63)(H,54,62)(H,55,70)(H,56,74)(H,57,72)(H,58,75)(H,59,71)(H,64,65)(H,66,67)(H4,48,49,50)/t22-,23-,26-,27-,28-,29-,30-,35-,36-/m0/s1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Graduate School of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 integrase strand transfer activity


J Med Chem 49: 4477-86 (2006)


Article DOI: 10.1021/jm060307u
BindingDB Entry DOI: 10.7270/Q2736QJZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50191245
PNG
(CHEMBL409617 | H-GYSAGERIVD-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C45H72N14O16/c1-6-22(4)36(44(75)58-35(21(2)3)43(74)56-28(37(47)68)17-34(66)67)59-40(71)26(8-7-15-50-45(48)49)55-39(70)27(13-14-33(64)65)53-32(63)19-51-38(69)23(5)52-42(73)30(20-60)57-41(72)29(54-31(62)18-46)16-24-9-11-25(61)12-10-24/h9-12,21-23,26-30,35-36,60-61H,6-8,13-20,46H2,1-5H3,(H2,47,68)(H,51,69)(H,52,73)(H,53,63)(H,54,62)(H,55,70)(H,56,74)(H,57,72)(H,58,75)(H,59,71)(H,64,65)(H,66,67)(H4,48,49,50)/t22-,23-,26-,27-,28-,29-,30-,35-,36-/m0/s1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Graduate School of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 integrase 3' processing activity


J Med Chem 49: 4477-86 (2006)


Article DOI: 10.1021/jm060307u
BindingDB Entry DOI: 10.7270/Q2736QJZ
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50087242
PNG
(CHEMBL422705 | Pro-Ser-pTyr-Val-Asn-Val-Gln-Asn)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C40H62N11O17P/c1-18(2)31(38(61)45-23(11-12-28(41)53)34(57)48-26(40(63)64)16-30(43)55)51-36(59)25(15-29(42)54)47-39(62)32(19(3)4)50-35(58)24(14-20-7-9-21(10-8-20)68-69(65,66)67)46-37(60)27(17-52)49-33(56)22-6-5-13-44-22/h7-10,18-19,22-27,31-32,44,52H,5-6,11-17H2,1-4H3,(H2,41,53)(H2,42,54)(H2,43,55)(H,45,61)(H,46,60)(H,47,62)(H,48,57)(H,49,56)(H,50,58)(H,51,59)(H,63,64)(H2,65,66,67)/t22-,23-,24-,25-,26-,27-,31-,32-/m0/s1
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n/an/an/a 18n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescence


Bioorg Med Chem Lett 10: 669-72 (2000)


Article DOI: 10.1016/s0960-894x(00)00077-9
BindingDB Entry DOI: 10.7270/Q2B857BR
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50088893
PNG
((S)-4-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C33H48N7O17P/c1-15(2)11-21(28(34)48)38-32(52)22(12-18-5-7-19(8-6-18)57-58(54,55)56)40-30(50)20(9-10-25(42)43)37-33(53)24(14-27(46)47)39-29(49)16(3)35-31(51)23(13-26(44)45)36-17(4)41/h5-8,15-16,20-24H,9-14H2,1-4H3,(H2,34,48)(H,35,51)(H,36,41)(H,37,53)(H,38,52)(H,39,49)(H,40,50)(H,42,43)(H,44,45)(H,46,47)(H2,54,55,56)/t16-,20-,21-,22-,23-,24-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity of the compound towards Protein-tyrosine Phospatase 1B


Bioorg Med Chem Lett 10: 923-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00124-4
BindingDB Entry DOI: 10.7270/Q2W0956V
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM50091671
PNG
(CHEMBL425095 | N-alpha-Ac-[Ala26,Phe27]PYY(22-36)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C83H137N27O21/c1-40(2)33-56(106-78(129)61(39-111)108-67(118)44(9)96-47(12)113)73(124)99-51(21-16-30-93-81(87)88)69(120)97-45(10)68(119)103-59(37-48-19-14-13-15-20-48)75(126)104-57(34-41(3)4)74(125)107-60(38-63(85)116)76(127)105-58(35-42(5)6)77(128)109-64(43(7)8)79(130)110-65(46(11)112)80(131)101-53(23-18-32-95-83(91)92)70(121)100-54(28-29-62(84)115)72(123)98-52(22-17-31-94-82(89)90)71(122)102-55(66(86)117)36-49-24-26-50(114)27-25-49/h13-15,19-20,24-27,40-46,51-61,64-65,111-112,114H,16-18,21-23,28-39H2,1-12H3,(H2,84,115)(H2,85,116)(H2,86,117)(H,96,113)(H,97,120)(H,98,123)(H,99,124)(H,100,121)(H,101,131)(H,102,122)(H,103,119)(H,104,126)(H,105,127)(H,106,129)(H,107,125)(H,108,118)(H,109,128)(H,110,130)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Antisecretory potency, affinity for intestinal PYY of rat jejunum by using short circuit current (SCC) method.


J Med Chem 43: 3420-7 (2000)


Article DOI: 10.1021/jm000052z
BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50091671
PNG
(CHEMBL425095 | N-alpha-Ac-[Ala26,Phe27]PYY(22-36)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C83H137N27O21/c1-40(2)33-56(106-78(129)61(39-111)108-67(118)44(9)96-47(12)113)73(124)99-51(21-16-30-93-81(87)88)69(120)97-45(10)68(119)103-59(37-48-19-14-13-15-20-48)75(126)104-57(34-41(3)4)74(125)107-60(38-63(85)116)76(127)105-58(35-42(5)6)77(128)109-64(43(7)8)79(130)110-65(46(11)112)80(131)101-53(23-18-32-95-83(91)92)70(121)100-54(28-29-62(84)115)72(123)98-52(22-17-31-94-82(89)90)71(122)102-55(66(86)117)36-49-24-26-50(114)27-25-49/h13-15,19-20,24-27,40-46,51-61,64-65,111-112,114H,16-18,21-23,28-39H2,1-12H3,(H2,84,115)(H2,85,116)(H2,86,117)(H,96,113)(H,97,120)(H,98,123)(H,99,124)(H,100,121)(H,101,131)(H,102,122)(H,103,119)(H,104,126)(H,105,127)(H,106,129)(H,107,125)(H,108,118)(H,109,128)(H,110,130)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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n/an/a 3.84n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y2 in SK-N-BE2 cell line


J Med Chem 43: 3420-7 (2000)


Article DOI: 10.1021/jm000052z
BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50091671
PNG
(CHEMBL425095 | N-alpha-Ac-[Ala26,Phe27]PYY(22-36)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C83H137N27O21/c1-40(2)33-56(106-78(129)61(39-111)108-67(118)44(9)96-47(12)113)73(124)99-51(21-16-30-93-81(87)88)69(120)97-45(10)68(119)103-59(37-48-19-14-13-15-20-48)75(126)104-57(34-41(3)4)74(125)107-60(38-63(85)116)76(127)105-58(35-42(5)6)77(128)109-64(43(7)8)79(130)110-65(46(11)112)80(131)101-53(23-18-32-95-83(91)92)70(121)100-54(28-29-62(84)115)72(123)98-52(22-17-31-94-82(89)90)71(122)102-55(66(86)117)36-49-24-26-50(114)27-25-49/h13-15,19-20,24-27,40-46,51-61,64-65,111-112,114H,16-18,21-23,28-39H2,1-12H3,(H2,84,115)(H2,85,116)(H2,86,117)(H,96,113)(H,97,120)(H,98,123)(H,99,124)(H,100,121)(H,101,131)(H,102,122)(H,103,119)(H,104,126)(H,105,127)(H,106,129)(H,107,125)(H,108,118)(H,109,128)(H,110,130)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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n/an/a 674n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line


J Med Chem 43: 3420-7 (2000)


Article DOI: 10.1021/jm000052z
BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162445
PNG
(CHEMBL386769 | H-Glu-Gly-Leu-Asn-pTyr-Ser(betaPh)-...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O17P/c1-23(2)18-29(47)40(61)54-37(25(5)6)44(65)55-38(39(60)27-10-8-7-9-11-27)45(66)53-32(20-26-12-14-28(15-13-26)72-73(69,70)71)42(63)52-33(21-34(48)56)43(64)51-31(19-24(3)4)41(62)49-22-35(57)50-30(46(67)68)16-17-36(58)59/h7-15,23-25,29-33,37-39,60H,16-22,47H2,1-6H3,(H2,48,56)(H,49,62)(H,50,57)(H,51,64)(H,52,63)(H,53,66)(H,54,61)(H,55,65)(H,58,59)(H,67,68)(H2,69,70,71)/t29-,30-,31-,32-,33-,37-,38-,39?/m0/s1
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n/an/an/an/a 2.20E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162445
PNG
(CHEMBL386769 | H-Glu-Gly-Leu-Asn-pTyr-Ser(betaPh)-...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O17P/c1-23(2)18-29(47)40(61)54-37(25(5)6)44(65)55-38(39(60)27-10-8-7-9-11-27)45(66)53-32(20-26-12-14-28(15-13-26)72-73(69,70)71)42(63)52-33(21-34(48)56)43(64)51-31(19-24(3)4)41(62)49-22-35(57)50-30(46(67)68)16-17-36(58)59/h7-15,23-25,29-33,37-39,60H,16-22,47H2,1-6H3,(H2,48,56)(H,49,62)(H,50,57)(H,51,64)(H,52,63)(H,53,66)(H,54,61)(H,55,65)(H,58,59)(H,67,68)(H2,69,70,71)/t29-,30-,31-,32-,33-,37-,38-,39?/m0/s1
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n/an/an/a 1.08E+3n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50069336
PNG
(CHEMBL439120 | NELNLGRREE | NQLPpYNELNLGRREEpYDVLD)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C106H166N30O43P2/c1-48(2)36-64(125-99(165)70(44-78(111)140)128-94(160)65(37-49(3)4)126-91(157)63(28-32-82(146)147)124-98(164)69(43-77(110)139)129-97(163)68(41-54-19-23-56(24-20-54)179-181(175,176)177)131-101(167)74-16-13-35-136(74)103(169)72(39-51(7)8)133-93(159)60(25-29-75(108)137)120-86(152)57(107)42-76(109)138)87(153)118-47-79(141)119-58(14-11-33-116-105(112)113)88(154)121-59(15-12-34-117-106(114)115)89(155)122-61(26-30-80(142)143)90(156)123-62(27-31-81(144)145)92(158)127-67(40-53-17-21-55(22-18-53)178-180(172,173)174)96(162)130-71(45-83(148)149)100(166)135-85(52(9)10)102(168)132-66(38-50(5)6)95(161)134-73(104(170)171)46-84(150)151/h17-24,48-52,57-74,85H,11-16,25-47,107H2,1-10H3,(H2,108,137)(H2,109,138)(H2,110,139)(H2,111,140)(H,118,153)(H,119,141)(H,120,152)(H,121,154)(H,122,155)(H,123,156)(H,124,164)(H,125,165)(H,126,157)(H,127,158)(H,128,160)(H,129,163)(H,130,162)(H,131,167)(H,132,168)(H,133,159)(H,134,161)(H,135,166)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,170,171)(H4,112,113,116)(H4,114,115,117)(H2,172,173,174)(H2,175,176,177)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against SH2 domain of Zeta-chain (TCR) associated protein kinase, ZAP-70


Bioorg Med Chem Lett 7: 2875-2878 (1997)


Article DOI: 10.1016/S0960-894X(97)10102-0
BindingDB Entry DOI: 10.7270/Q2HX1CPG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148012
PNG
((S)-2-(3-{(S)-2-[2-((S)-Acetylamino)-3-(4-phosphon...)
Show SMILES CC(C)[C@H](NC(=O)C[C@@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O
Show InChI InChI=1S/C26H37N4O14P/c1-13(2)23(26(39)40)30-20(32)11-16(12-22(35)36)28-24(37)18(8-9-21(33)34)29-25(38)19(27-14(3)31)10-15-4-6-17(7-5-15)44-45(41,42)43/h4-7,13,16,18-19,23H,8-12H2,1-3H3,(H,27,31)(H,28,37)(H,29,38)(H,30,32)(H,33,34)(H,35,36)(H,39,40)(H2,41,42,43)/t16-,18-,19-,23-/m0/s1
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n/an/a 2.57E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004969
PNG
(CHEMBL266658 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C144H237N43O41/c1-19-74(13)112(185-118(205)78(17)163-127(214)100(63-109(198)199)172-117(204)76(15)162-119(206)85(147)59-81-38-42-83(192)43-39-81)139(226)179-98(60-80-31-22-21-23-32-80)133(220)187-114(79(18)191)141(228)180-99(62-107(150)196)132(219)182-103(67-189)137(224)176-97(61-82-40-44-84(193)45-41-82)131(218)170-90(37-30-54-160-144(156)157)122(209)169-88(34-25-27-51-146)126(213)184-111(73(11)12)138(225)178-93(55-69(3)4)120(207)161-65-108(197)165-91(46-48-105(148)194)124(211)174-96(58-72(9)10)130(217)181-102(66-188)135(222)164-77(16)116(203)167-89(36-29-53-159-143(154)155)121(208)168-87(33-24-26-50-145)123(210)173-95(57-71(7)8)129(216)175-94(56-70(5)6)128(215)171-92(47-49-106(149)195)125(212)177-101(64-110(200)201)134(221)186-113(75(14)20-2)140(227)183-104(68-190)136(223)166-86(115(151)202)35-28-52-158-142(152)153/h21-23,31-32,38-45,69-79,85-104,111-114,188-193H,19-20,24-30,33-37,46-68,145-147H2,1-18H3,(H2,148,194)(H2,149,195)(H2,150,196)(H2,151,202)(H,161,207)(H,162,206)(H,163,214)(H,164,222)(H,165,197)(H,166,223)(H,167,203)(H,168,208)(H,169,209)(H,170,218)(H,171,215)(H,172,204)(H,173,210)(H,174,211)(H,175,216)(H,176,224)(H,177,212)(H,178,225)(H,179,226)(H,180,228)(H,181,217)(H,182,219)(H,183,227)(H,184,213)(H,185,205)(H,186,221)(H,187,220)(H,198,199)(H,200,201)(H4,152,153,158)(H4,154,155,159)(H4,156,157,160)/t74-,75-,76-,77-,78-,79+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,111-,112-,113-,114-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


Article DOI: 10.1021/jm00088a023
BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair