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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=LVYIYYGXSDQMMQ-HMIZNXJWSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50260529   
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
B-cell lymphoma 6 protein


(Homo sapiens)		BDBM50260529
PNG
(CHEMBL4077626)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem

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PubMed
n/an/an/a 0.570n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of BCOR binding to recombinant biotinylated SUMO-tagged BCL6 BTB domain (5 to 129 amino acid residues) (unknown origin) expressed in Esche...

J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)		BDBM50260529
PNG
(CHEMBL4077626)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.570n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BCL6 (unknown origin) by SPR analysis

Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)		BDBM50260529
PNG
(CHEMBL4077626)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of C-terminal biotin-labelled BCoR (Arg498 to 514Pro residues) binding to recombinant FLAG-tagged BCL6 BTB (5 to 129 residues) (unknown or...

Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7
More data for this
Ligand-Target Pair