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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 9721   
Target
(Institution)
LigandTarget
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
RNA polymerase sigma factor SigB (σB)


(Mycobacterium tuberculosis)
BDBM226118
PNG
(ELTPEERMLRLIFGRK | MT4)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C88H150N26O24S/c1-11-49(8)69(83(135)111-63(44-51-21-13-12-14-22-51)72(124)100-45-65(116)101-53(24-17-36-97-86(91)92)73(125)107-59(85(137)138)23-15-16-35-89)112-80(132)62(43-48(6)7)110-75(127)55(26-19-38-99-88(95)96)103-79(131)60(41-46(2)3)109-78(130)58(34-40-139-10)105-74(126)54(25-18-37-98-87(93)94)102-76(128)56(29-32-67(119)120)104-77(129)57(30-33-68(121)122)106-82(134)64-27-20-39-114(64)84(136)70(50(9)115)113-81(133)61(42-47(4)5)108-71(123)52(90)28-31-66(117)118/h12-14,21-22,46-50,52-64,69-70,115H,11,15-20,23-45,89-90H2,1-10H3,(H,100,124)(H,101,116)(H,102,128)(H,103,131)(H,104,129)(H,105,126)(H,106,134)(H,107,125)(H,108,123)(H,109,130)(H,110,127)(H,111,135)(H,112,132)(H,113,133)(H,117,118)(H,119,120)(H,121,122)(H,137,138)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t49-,50+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/a 51n/an/an/an/an/a



Indian Institute of Science



Assay Description
The experiments were conducted using the Octet Red System (Forte bio, MenloPark, CA). Biotinylated peptides were immobilized on kinetics grade Strept...


Biochemistry 56: 2209-2218 (2017)

More data for this
Ligand-Target Pair
RNA polymerase sigma factor SigB (σB)


(Mycobacterium tuberculosis)
BDBM226117
PNG
(ELTPEERLLRAIFGEK | MT2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C85H141N23O26/c1-11-46(8)67(81(131)105-60(41-49-20-13-12-14-21-49)71(121)94-42-62(110)96-53(27-31-64(113)114)74(124)101-56(83(133)134)22-15-16-34-86)106-69(119)47(9)95-72(122)51(23-17-35-92-84(88)89)98-77(127)57(38-43(2)3)104-78(128)58(39-44(4)5)103-73(123)52(24-18-36-93-85(90)91)97-75(125)54(28-32-65(115)116)99-76(126)55(29-33-66(117)118)100-80(130)61-25-19-37-108(61)82(132)68(48(10)109)107-79(129)59(40-45(6)7)102-70(120)50(87)26-30-63(111)112/h12-14,20-21,43-48,50-61,67-68,109H,11,15-19,22-42,86-87H2,1-10H3,(H,94,121)(H,95,122)(H,96,110)(H,97,125)(H,98,127)(H,99,126)(H,100,130)(H,101,124)(H,102,120)(H,103,123)(H,104,128)(H,105,131)(H,106,119)(H,107,129)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,133,134)(H4,88,89,92)(H4,90,91,93)/t46-,47-,48+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,67-,68-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/a 115n/an/an/an/an/a



Indian Institute of Science



Assay Description
The experiments were conducted using the Octet Red System (Forte bio, MenloPark, CA). Biotinylated peptides were immobilized on kinetics grade Strept...


Biochemistry 56: 2209-2218 (2017)

More data for this
Ligand-Target Pair
RNA polymerase sigma factor SigB (σB)


(Mycobacterium tuberculosis)
BDBM226116
PNG
(ELPPEERLLRAIFGEK | MT1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C86H141N23O25/c1-10-48(8)69(81(130)105-60(43-50-20-12-11-13-21-50)72(121)95-44-64(110)97-54(28-32-66(113)114)75(124)102-57(84(133)134)22-14-15-35-87)107-70(119)49(9)96-73(122)52(23-16-36-93-85(89)90)99-78(127)58(40-45(2)3)104-79(128)59(41-46(4)5)103-74(123)53(24-17-37-94-86(91)92)98-76(125)55(29-33-67(115)116)100-77(126)56(30-34-68(117)118)101-80(129)62-25-18-38-108(62)83(132)63-26-19-39-109(63)82(131)61(42-47(6)7)106-71(120)51(88)27-31-65(111)112/h11-13,20-21,45-49,51-63,69H,10,14-19,22-44,87-88H2,1-9H3,(H,95,121)(H,96,122)(H,97,110)(H,98,125)(H,99,127)(H,100,126)(H,101,129)(H,102,124)(H,103,123)(H,104,128)(H,105,130)(H,106,120)(H,107,119)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,133,134)(H4,89,90,93)(H4,91,92,94)/t48-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/a 139n/an/an/an/an/a



Indian Institute of Science



Assay Description
The experiments were conducted using the Octet Red System (Forte bio, MenloPark, CA). Biotinylated peptides were immobilized on kinetics grade Strept...


Biochemistry 56: 2209-2218 (2017)

More data for this
Ligand-Target Pair
RNA polymerase sigma factor SigB (σB)


(Mycobacterium tuberculosis)
BDBM226119
PNG
(ELTPRESDDRHDSGRD | MT6)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C73H117N27O32/c1-31(2)20-39(91-56(117)34(74)12-14-49(105)106)66(127)99-55(32(3)103)69(130)100-19-7-11-47(100)68(129)90-37(10-6-18-84-73(79)80)59(120)89-38(13-15-50(107)108)61(122)98-46(29-102)67(128)95-42(23-52(111)112)64(125)94-41(22-51(109)110)63(124)88-36(9-5-17-83-72(77)78)60(121)92-40(21-33-26-81-30-86-33)62(123)93-43(24-53(113)114)65(126)97-45(28-101)57(118)85-27-48(104)87-35(8-4-16-82-71(75)76)58(119)96-44(70(131)132)25-54(115)116/h26,30-32,34-47,55,101-103H,4-25,27-29,74H2,1-3H3,(H,81,86)(H,85,118)(H,87,104)(H,88,124)(H,89,120)(H,90,129)(H,91,117)(H,92,121)(H,93,123)(H,94,125)(H,95,128)(H,96,119)(H,97,126)(H,98,122)(H,99,127)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,131,132)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t32-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,55+/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/a 1.17E+4n/an/an/an/an/a



Indian Institute of Science



Assay Description
The experiments were conducted using the Octet Red System (Forte bio, MenloPark, CA). Biotinylated peptides were immobilized on kinetics grade Strept...


Biochemistry 56: 2209-2218 (2017)

More data for this
Ligand-Target Pair