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BDBM156378 US9018381, 3::US9248140, 3

SMILES: CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1

InChI Key: InChIKey=UNEJSHNDABUZNY-UJNHCCGESA-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 = 156378   
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)
BDBM156378
PNG
(US9018381, 3 | US9248140, 3)
Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/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))
BDBM156378
PNG
(US9018381, 3 | US9248140, 3)
Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a<0.300n/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))
BDBM156378
PNG
(US9018381, 3 | US9248140, 3)
Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/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))
BDBM156378
PNG
(US9018381, 3 | US9248140, 3)
Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/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<0.300n/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