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65 similar compounds to monomer 50001446

Compile data set for download or QSAR
Wt: 1651.7
BDBM50006655
Wt: 1653.6
BDBM50006657
Wt: 1607.6
BDBM50006659
Wt: 1665.7
BDBM50006656
Wt: 1653.6
BDBM50006654
Wt: 1679.7
BDBM50006658
Wt: 1727.8
BDBM50006660
Wt: 734.8
BDBM50001448
Wt: 748.8
BDBM50001449
Wt: 825.0
BDBM50001435
Wt: 766.9
BDBM50001451
Purchase
Wt: 734.8
BDBM50001436
Wt: 768.8
BDBM50001437
Wt: 734.8
BDBM50001452
Wt: 762.9
BDBM50001453
Displayed 1 to 15 (of 59 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50006655,50006657,50006659,50006656,50006654,50006658,50006660,50001448,50001449,50001435,50001451,50001436,50001437,50001452,50001453   
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
TACR2


(HAMSTER)
BDBM50001437
PNG
(3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-2-phenyl-eth...)
Show SMILES CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C38H56N8O9/c1-22(2)15-26(19-41-28(34(40)51)16-24-11-7-5-8-12-24)43-31(48)20-42-38(55)33(23(3)4)46-36(53)29(17-25-13-9-6-10-14-25)44-37(54)30(21-47)45-35(52)27(39)18-32(49)50/h5-14,22-23,26-30,33,41,47H,15-21,39H2,1-4H3,(H2,40,51)(H,42,55)(H,43,48)(H,44,54)(H,45,52)(H,46,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006660
PNG
(CHEMBL3235922)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C77H114N16O29/c1-35(2)26-47(68(113)79-38(7)65(110)91-55(34-94)63(78)108)90-77(122)62(41(10)96)93-75(120)50(29-43-18-14-12-15-19-43)87-70(115)49(28-37(5)6)85-67(112)46(23-25-57(100)101)82-66(111)45(22-24-56(98)99)83-69(114)48(27-36(3)4)86-73(118)54(33-60(106)107)89-72(117)53(32-59(104)105)84-64(109)39(8)80-76(121)61(40(9)95)92-74(119)51(30-44-20-16-13-17-21-44)88-71(116)52(31-58(102)103)81-42(11)97/h12-21,35-41,45-55,61-62,94-96H,22-34H2,1-11H3,(H2,78,108)(H,79,113)(H,80,121)(H,81,97)(H,82,111)(H,83,114)(H,84,109)(H,85,112)(H,86,118)(H,87,115)(H,88,116)(H,89,117)(H,90,122)(H,91,110)(H,92,119)(H,93,120)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t38-,39-,40+,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1
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n/an/an/a 2.20E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001436
PNG
(3-Amino-N-{1-[1-(1-{2-[1-(1-carbamoyl-3-methyl-but...)
Show SMILES CC(C)C[C@H](NCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C35H58N8O9/c1-19(2)14-24(30(37)47)40-32(49)25(15-20(3)4)38-12-13-39-35(52)29(21(5)6)43-33(50)26(16-22-10-8-7-9-11-22)41-34(51)27(18-44)42-31(48)23(36)17-28(45)46/h7-11,19-21,23-27,29,38,44H,12-18,36H2,1-6H3,(H2,37,47)(H,39,52)(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,45,46)/t23-,24-,25-,26-,27-,29-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001449
PNG
(3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methyl-buty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C35H56N8O10/c1-18(2)12-23(30(37)48)40-32(50)24(13-19(3)4)39-27(45)16-38-35(53)29(20(5)6)43-33(51)25(14-21-10-8-7-9-11-21)41-34(52)26(17-44)42-31(49)22(36)15-28(46)47/h7-11,18-20,22-26,29,44H,12-17,36H2,1-6H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24-,25-,26-,29-/m0/s1
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n/an/a 136n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001453
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C37H62N8O9/c1-8-45(29(33(39)50)15-22(4)5)19-25(14-21(2)3)41-30(47)18-40-37(54)32(23(6)7)44-35(52)27(16-24-12-10-9-11-13-24)42-36(53)28(20-46)43-34(51)26(38)17-31(48)49/h9-13,21-23,25-29,32,46H,8,14-20,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,53)(H,43,51)(H,44,52)(H,48,49)/t25-,26-,27-,28-,29-,32-/m0/s1
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n/an/a 277n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001448
PNG
(3-Amino-N-[1-(1-{1-[({[1-(1-carbamoyl-3-methyl-but...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C35H58N8O9/c1-19(2)12-24(31(37)48)40-33(50)25(13-20(3)4)39-29(45)17-38-16-27(21(5)6)42-34(51)26(14-22-10-8-7-9-11-22)41-35(52)28(18-44)43-32(49)23(36)15-30(46)47/h7-11,19-21,23-28,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,45)(H,40,50)(H,41,52)(H,42,51)(H,43,49)(H,46,47)/t23-,24-,25-,26-,27+,28-/m0/s1
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n/an/a 5.66E+3n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001452
PNG
(3-Amino-N-(2-{1-[1-({[1-(1-carbamoyl-3-methyl-buty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C35H58N8O9/c1-19(2)12-25(31(37)48)42-34(51)27(13-20(3)4)41-28(45)17-39-35(52)30(21(5)6)43-33(50)26(14-22-10-8-7-9-11-22)38-16-23(18-44)40-32(49)24(36)15-29(46)47/h7-11,19-21,23-27,30,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,52)(H,40,49)(H,41,45)(H,42,51)(H,43,50)(H,46,47)/t23-,24+,25+,26+,27+,30+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001451
PNG
(3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methylsulfa...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C34H54N8O10S/c1-18(2)13-23(31(49)39-22(29(36)47)11-12-53-5)38-26(44)16-37-34(52)28(19(3)4)42-32(50)24(14-20-9-7-6-8-10-20)40-33(51)25(17-43)41-30(48)21(35)15-27(45)46/h6-10,18-19,21-25,28,43H,11-17,35H2,1-5H3,(H2,36,47)(H,37,52)(H,38,44)(H,39,49)(H,40,51)(H,41,48)(H,42,50)(H,45,46)/t21-,22-,23-,24-,25-,28-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006654
PNG
(CHEMBL3236278)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H104N16O31/c1-28(2)20-39(61(108)72-31(6)58(105)83-46(27-86)55(70)102)82-69(116)54(34(9)88)85-67(114)45(26-52(100)101)78-56(103)30(5)71-59(106)37(16-18-47(90)91)75-60(107)38(17-19-48(92)93)76-62(109)40(21-29(3)4)79-65(112)44(25-51(98)99)81-64(111)43(24-50(96)97)77-57(104)32(7)73-68(115)53(33(8)87)84-66(113)41(22-36-14-12-11-13-15-36)80-63(110)42(23-49(94)95)74-35(10)89/h11-15,28-34,37-46,53-54,86-88H,16-27H2,1-10H3,(H2,70,102)(H,71,106)(H,72,108)(H,73,115)(H,74,89)(H,75,107)(H,76,109)(H,77,104)(H,78,103)(H,79,112)(H,80,110)(H,81,111)(H,82,116)(H,83,105)(H,84,113)(H,85,114)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1
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n/an/an/a 1.97E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006655
PNG
(CHEMBL3236277)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H110N16O29/c1-30(2)22-42(63(108)74-35(9)60(105)86-56(37(11)90)71(116)84-43(23-31(3)4)64(109)73-33(7)59(104)85-49(29-88)57(72)102)80-62(107)41(19-21-51(94)95)77-61(106)40(18-20-50(92)93)78-65(110)44(24-32(5)6)81-68(113)48(28-54(100)101)83-67(112)47(27-53(98)99)79-58(103)34(8)75-70(115)55(36(10)89)87-69(114)45(25-39-16-14-13-15-17-39)82-66(111)46(26-52(96)97)76-38(12)91/h13-17,30-37,40-49,55-56,88-90H,18-29H2,1-12H3,(H2,72,102)(H,73,109)(H,74,108)(H,75,115)(H,76,91)(H,77,106)(H,78,110)(H,79,103)(H,80,107)(H,81,113)(H,82,111)(H,83,112)(H,84,116)(H,85,104)(H,86,105)(H,87,114)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1
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n/an/an/a 8.50E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006656
PNG
(CHEMBL3236276)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H108N16O30/c1-30(2)21-41(63(109)73-34(8)60(106)86-49(29-88)57(72)103)79-58(104)33(7)74-64(110)46(26-53(97)98)84-66(112)43(23-32(5)6)81-62(108)40(18-20-51(93)94)77-61(107)39(17-19-50(91)92)78-65(111)42(22-31(3)4)82-69(115)48(28-55(101)102)85-68(114)47(27-54(99)100)80-59(105)35(9)75-71(117)56(36(10)89)87-70(116)44(24-38-15-13-12-14-16-38)83-67(113)45(25-52(95)96)76-37(11)90/h12-16,30-36,39-49,56,88-89H,17-29H2,1-11H3,(H2,72,103)(H,73,109)(H,74,110)(H,75,117)(H,76,90)(H,77,107)(H,78,111)(H,79,104)(H,80,105)(H,81,108)(H,82,115)(H,83,113)(H,84,112)(H,85,114)(H,86,106)(H,87,116)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)/t33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006657
PNG
(CHEMBL3236275)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H104N16O31/c1-28(2)20-39(79-65(112)44(25-51(98)99)81-64(111)43(24-50(96)97)77-57(104)32(7)73-69(116)53(33(8)87)84-66(113)41(22-36-14-12-11-13-15-36)80-63(110)42(23-49(94)95)74-35(10)89)61(108)76-37(16-18-47(90)91)59(106)75-38(17-19-48(92)93)60(107)78-40(21-29(3)4)62(109)82-45(26-52(100)101)67(114)85-54(34(9)88)68(115)72-30(5)56(103)71-31(6)58(105)83-46(27-86)55(70)102/h11-15,28-34,37-46,53-54,86-88H,16-27H2,1-10H3,(H2,70,102)(H,71,103)(H,72,115)(H,73,116)(H,74,89)(H,75,106)(H,76,108)(H,77,104)(H,78,107)(H,79,112)(H,80,110)(H,81,111)(H,82,109)(H,83,105)(H,84,113)(H,85,114)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1
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n/an/an/a 6.30E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006658
PNG
(CHEMBL3235924)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C72H110N16O30/c1-30(2)22-42(63(109)75-34(8)59(105)74-33(7)58(73)104)86-72(118)57(37(11)90)88-70(116)49(29-55(102)103)85-65(111)44(24-32(5)6)81-62(108)41(19-21-51(94)95)78-61(107)40(18-20-50(92)93)79-64(110)43(23-31(3)4)82-68(114)48(28-54(100)101)84-67(113)47(27-53(98)99)80-60(106)35(9)76-71(117)56(36(10)89)87-69(115)45(25-39-16-14-13-15-17-39)83-66(112)46(26-52(96)97)77-38(12)91/h13-17,30-37,40-49,56-57,89-90H,18-29H2,1-12H3,(H2,73,104)(H,74,105)(H,75,109)(H,76,117)(H,77,91)(H,78,107)(H,79,110)(H,80,106)(H,81,108)(H,82,114)(H,83,112)(H,84,113)(H,85,111)(H,86,118)(H,87,115)(H,88,116)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-/m0/s1
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n/an/an/a 2.60E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006659
PNG
(CHEMBL3235923)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H106N16O28/c1-29(2)20-40(61(105)72-34(9)59(103)84-48(28-86)55(70)99)77-57(101)33(8)73-63(107)45(25-51(93)94)82-64(108)42(22-31(5)6)79-60(104)39(18-19-49(89)90)76-56(100)32(7)71-62(106)41(21-30(3)4)80-67(111)47(27-53(97)98)83-66(110)46(26-52(95)96)78-58(102)35(10)74-69(113)54(36(11)87)85-68(112)43(23-38-16-14-13-15-17-38)81-65(109)44(24-50(91)92)75-37(12)88/h13-17,29-36,39-48,54,86-87H,18-28H2,1-12H3,(H2,70,99)(H,71,106)(H,72,105)(H,73,107)(H,74,113)(H,75,88)(H,76,100)(H,77,101)(H,78,102)(H,79,104)(H,80,111)(H,81,109)(H,82,108)(H,83,110)(H,84,103)(H,85,112)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t32-,33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001435
PNG
(3-Amino-N-[1-(1-{1-[2-(1-{[(1-carbamoyl-2-phenyl-e...)
Show SMILES CCCN(C[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H64N8O9/c1-6-19-50(34(38(44)55)22-29-15-11-8-12-16-29)24-30(20-26(2)3)46-35(52)17-18-45-42(59)37(27(4)5)49-40(57)32(21-28-13-9-7-10-14-28)47-41(58)33(25-51)48-39(56)31(43)23-36(53)54/h7-16,26-27,30-34,37,51H,6,17-25,43H2,1-5H3,(H2,44,55)(H,45,59)(H,46,52)(H,47,58)(H,48,56)(H,49,57)(H,53,54)/t30-,31-,32-,33-,34-,37-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair