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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'SPRY domain-containing SOCS box protein 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
SPRY domain-containing SOCS box protein 2


(Homo sapiens)
BDBM50055507
PNG
(CHEMBL3326275)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1/C35H58N12O14S2/c1-6-14(4)27(47-32(58)19(10-25(52)53)44-34(60)26(13(2)3)46-33(59)21(12-63)40-15(5)48)35(61)43-18(9-24(38)51)30(56)41-16(7-22(36)49)29(55)42-17(8-23(37)50)31(57)45-20(11-62)28(39)54/h13-14,16-21,26-27,62-63H,6-12H2,1-5H3,(H2,36,49)(H2,37,50)(H2,38,51)(H2,39,54)(H,40,48)(H,41,56)(H,42,55)(H,43,61)(H,44,60)(H,45,57)(H,46,59)(H,47,58)(H,52,53)/t14-,16-,17-,18-,19-,20-,21-,26-,27-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 35n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged SPSB2 (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
SPRY domain-containing SOCS box protein 2


(Homo sapiens)
BDBM50055509
PNG
(CHEMBL3326273)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)NC(C)=O)C(C)C
Show InChI InChI=1/C35H56N12O14S2/c1-6-14(4)27-35(61)43-18(9-24(38)51)30(56)41-16(7-22(36)49)29(55)42-17(8-23(37)50)31(57)45-20(28(39)54)11-62-63-12-21(40-15(5)48)33(59)46-26(13(2)3)34(60)44-19(10-25(52)53)32(58)47-27/h13-14,16-21,26-27H,6-12H2,1-5H3,(H2,36,49)(H2,37,50)(H2,38,51)(H2,39,54)(H,40,48)(H,41,56)(H,42,55)(H,43,61)(H,44,60)(H,45,57)(H,46,59)(H,47,58)(H,52,53)/t14-,16-,17-,18-,19-,20+,21-,26-,27-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 4.40n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged SPSB2 (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
SPRY domain-containing SOCS box protein 2


(Homo sapiens)
BDBM50055508
PNG
(CHEMBL3326274)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C24H39N9O11/c1-4-9(2)19(33-23(43)14(8-18(38)39)29-10(3)34)24(44)32-13(7-17(27)37)22(42)31-12(6-16(26)36)21(41)30-11(20(28)40)5-15(25)35/h9,11-14,19H,4-8H2,1-3H3,(H2,25,35)(H2,26,36)(H2,27,37)(H2,28,40)(H,29,34)(H,30,41)(H,31,42)(H,32,44)(H,33,43)(H,38,39)/t9-,11-,12-,13-,14-,19-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 318n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged SPSB2 (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR assay


Citation and Details
More data for this
Ligand-Target Pair