BindingDB logo
myBDB logout

BDBM156384 US9018381, 7::US9248140, 7

SMILES: O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1

InChI Key: InChIKey=PXOPKZMWBPBVHT-CAZXVXRPSA-N

Data: 4 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 4 hits for monomerid = 156384   
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)
BDBM156384
PNG
(US9018381, 7 | US9248140, 7)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClF3N4O14P2S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-73(65,66)39-18-19-42(43(30-39)72(63,64)46(48,49)50)51-36(31-71-38-6-2-1-3-7-38)22-23-53(26-28-67-69(57,58)59)27-29-68-70(60,61)62/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)(H2,57,58,59)(H2,60,61,62)/t36-,44-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156384
PNG
(US9018381, 7 | US9248140, 7)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClF3N4O14P2S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-73(65,66)39-18-19-42(43(30-39)72(63,64)46(48,49)50)51-36(31-71-38-6-2-1-3-7-38)22-23-53(26-28-67-69(57,58)59)27-29-68-70(60,61)62/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)(H2,57,58,59)(H2,60,61,62)/t36-,44-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...


US Patent US9248140 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K34
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Homo sapiens (Human))
BDBM156384
PNG
(US9018381, 7 | US9248140, 7)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClF3N4O14P2S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-73(65,66)39-18-19-42(43(30-39)72(63,64)46(48,49)50)51-36(31-71-38-6-2-1-3-7-38)22-23-53(26-28-67-69(57,58)59)27-29-68-70(60,61)62/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)(H2,57,58,59)(H2,60,61,62)/t36-,44-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...


US Patent US9248140 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K34
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM156384
PNG
(US9018381, 7 | US9248140, 7)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClF3N4O14P2S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-73(65,66)39-18-19-42(43(30-39)72(63,64)46(48,49)50)51-36(31-71-38-6-2-1-3-7-38)22-23-53(26-28-67-69(57,58)59)27-29-68-70(60,61)62/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)(H2,57,58,59)(H2,60,61,62)/t36-,44-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair