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BDBM50172738 CHEMBL441321::GQVGRQLAIIGDDINR

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=PPAWRFGIFUUSAC-XIFNGFNVSA-N

Data: 1 IC50  1 Kd

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 = 50172738   
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM50172738
PNG
(CHEMBL441321 | GQVGRQLAIIGDDINR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-12-34(8)55(67(117)84-31-51(103)88-44(27-52(104)105)64(114)92-45(28-53(106)107)65(115)96-56(35(9)13-2)68(118)93-43(26-48(76)100)63(113)90-41(70(120)121)18-16-24-82-72(79)80)97-69(119)57(36(10)14-3)95-58(108)37(11)85-62(112)42(25-32(4)5)91-60(110)40(20-22-47(75)99)89-59(109)38(17-15-23-81-71(77)78)87-50(102)30-83-66(116)54(33(6)7)94-61(111)39(19-21-46(74)98)86-49(101)29-73/h32-45,54-57H,12-31,73H2,1-11H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,116)(H,84,117)(H,85,112)(H,86,101)(H,87,102)(H,88,103)(H,89,109)(H,90,113)(H,91,110)(H,92,114)(H,93,118)(H,94,111)(H,95,108)(H,96,115)(H,97,119)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.5n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged human wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 35 nM Bodipy-labelled compound after...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50172738
PNG
(CHEMBL441321 | GQVGRQLAIIGDDINR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-12-34(8)55(67(117)84-31-51(103)88-44(27-52(104)105)64(114)92-45(28-53(106)107)65(115)96-56(35(9)13-2)68(118)93-43(26-48(76)100)63(113)90-41(70(120)121)18-16-24-82-72(79)80)97-69(119)57(36(10)14-3)95-58(108)37(11)85-62(112)42(25-32(4)5)91-60(110)40(20-22-47(75)99)89-59(109)38(17-15-23-81-71(77)78)87-50(102)30-83-66(116)54(33(6)7)94-61(111)39(19-21-46(74)98)86-49(101)29-73/h32-45,54-57H,12-31,73H2,1-11H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,116)(H,84,117)(H,85,112)(H,86,101)(H,87,102)(H,88,103)(H,89,109)(H,90,113)(H,91,110)(H,92,114)(H,93,118)(H,94,111)(H,95,108)(H,96,115)(H,97,119)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.36E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of BCL2 by fluorescence polarization based competitive binding assay


Bioorg Med Chem Lett 15: 4467-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.031
BindingDB Entry DOI: 10.7270/Q2VD6Z0C
More data for this
Ligand-Target Pair