BindingDB logo
myBDB logout

BDBM50136313 CHEMBL3752883

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=MVFHCICLNCIWGH-MADVRVISSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136313   
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
Telomeric repeat-binding factor 2-interacting protein 1


(Homo sapiens (Human))
BDBM50136313
PNG
(CHEMBL3752883)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C79H138N20O22S/c1-15-42(6)60(96-79(121)64(48(12)104)99-78(120)61(45(9)101)87-49(13)105)75(117)84-38-59(106)88-54(30-34-122-14)69(111)89-52(28-20-23-32-81)70(112)97-62(46(10)102)76(118)93-55(35-40(2)3)72(114)90-51(27-19-22-31-80)68(110)86-43(7)66(108)85-44(8)67(109)92-57(37-50-25-17-16-18-26-50)74(116)91-53(29-21-24-33-82)71(113)98-63(47(11)103)77(119)94-56(36-41(4)5)73(115)95-58(39-100)65(83)107/h16-18,25-26,40-48,51-58,60-64,100-104H,15,19-24,27-39,80-82H2,1-14H3,(H2,83,107)(H,84,117)(H,85,108)(H,86,110)(H,87,105)(H,88,106)(H,89,111)(H,90,114)(H,91,116)(H,92,109)(H,93,118)(H,94,119)(H,95,115)(H,96,121)(H,97,112)(H,98,113)(H,99,120)/t42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay


J Med Chem 59: 328-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D
More data for this
Ligand-Target Pair
Telomeric repeat-binding factor 2-interacting protein 1


(Homo sapiens (Human))
BDBM50136313
PNG
(CHEMBL3752883)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C79H138N20O22S/c1-15-42(6)60(96-79(121)64(48(12)104)99-78(120)61(45(9)101)87-49(13)105)75(117)84-38-59(106)88-54(30-34-122-14)69(111)89-52(28-20-23-32-81)70(112)97-62(46(10)102)76(118)93-55(35-40(2)3)72(114)90-51(27-19-22-31-80)68(110)86-43(7)66(108)85-44(8)67(109)92-57(37-50-25-17-16-18-26-50)74(116)91-53(29-21-24-33-82)71(113)98-63(47(11)103)77(119)94-56(36-41(4)5)73(115)95-58(39-100)65(83)107/h16-18,25-26,40-48,51-58,60-64,100-104H,15,19-24,27-39,80-82H2,1-14H3,(H2,83,107)(H,84,117)(H,85,108)(H,86,110)(H,87,105)(H,88,106)(H,89,111)(H,90,114)(H,91,116)(H,92,109)(H,93,118)(H,94,119)(H,95,115)(H,96,121)(H,97,112)(H,98,113)(H,99,120)/t42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay


J Med Chem 59: 328-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D
More data for this
Ligand-Target Pair