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PubMed code 28525735

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Troponin C, slow skeletal and cardiac muscles [4-85]


(Homo sapiens (Human))		BDBM231692
PNG
(ISADAMMQALLGARAKES | SWH peptide)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C77H135N23O26S2/c1-14-38(6)59(80)75(124)99-53(34-101)74(123)89-43(11)64(113)97-52(32-58(107)108)72(121)88-41(9)62(111)92-48(24-28-127-12)70(119)95-49(25-29-128-13)71(120)93-46(20-22-55(79)103)67(116)87-42(10)63(112)96-51(31-37(4)5)73(122)98-50(30-36(2)3)65(114)84-33-56(104)85-39(7)60(109)91-45(19-17-27-83-77(81)82)66(115)86-40(8)61(110)90-44(18-15-16-26-78)68(117)94-47(21-23-57(105)106)69(118)100-54(35-102)76(125)126/h36-54,59,101-102H,14-35,78,80H2,1-13H3,(H2,79,103)(H,84,114)(H,85,104)(H,86,115)(H,87,116)(H,88,121)(H,89,123)(H,90,110)(H,91,109)(H,92,111)(H,93,120)(H,94,117)(H,95,119)(H,96,112)(H,97,113)(H,98,122)(H,99,124)(H,100,118)(H,105,106)(H,107,108)(H,125,126)(H4,81,82,83)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.20E+3n/an/an/a7.014



The Affiliated Hospital of Qingdao University



Assay Description
The fluorescence polarization assays were performed at 298 K following a protocol modified from previously reported protocol [Zhuo et al., Mol. Biosy...

Bioorg Chem 73: 10-15 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.004
BindingDB Entry DOI: 10.7270/Q2PN94H5
More data for this
Ligand-Target Pair
Troponin C, slow skeletal and cardiac muscles [4-85]


(Homo sapiens (Human))		BDBM231693
PNG
(ADAMMQALLGAR | pΔn2Δc4 peptide)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C51H90N16O16S2/c1-24(2)20-34(44(76)57-23-38(69)58-27(6)41(73)64-33(50(82)83)12-11-17-56-51(54)55)67-49(81)35(21-25(3)4)66-43(75)29(8)59-45(77)30(13-14-37(53)68)62-47(79)32(16-19-85-10)63-46(78)31(15-18-84-9)61-42(74)28(7)60-48(80)36(22-39(70)71)65-40(72)26(5)52/h24-36H,11-23,52H2,1-10H3,(H2,53,68)(H,57,76)(H,58,69)(H,59,77)(H,60,80)(H,61,74)(H,62,79)(H,63,78)(H,64,73)(H,65,72)(H,66,75)(H,67,81)(H,70,71)(H,82,83)(H4,54,55,56)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.57E+4n/an/an/a7.014



The Affiliated Hospital of Qingdao University



Assay Description
The fluorescence polarization assays were performed at 298 K following a protocol modified from previously reported protocol [Zhuo et al., Mol. Biosy...

Bioorg Chem 73: 10-15 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.004
BindingDB Entry DOI: 10.7270/Q2PN94H5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%