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BDBM156385 US9018381, 8::US9248140, 8

SMILES: CCN(CCOP(O)(O)=O)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=NRMPZUJXWZRKTG-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 = 156385   
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)
BDBM156385
PNG
(US9018381, 8 | US9248140, 8)
Show SMILES CCN(CCOP(O)(O)=O)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/C46H51ClF3N4O10PS3/c1-2-53(28-29-64-65(57,58)59)25-24-36(31-66-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)67(60,61)46(48,49)50)68(62,63)52-45(56)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(55)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55H,2,22-29,31H2,1H3,(H,52,56)(H2,57,58,59)/t36-,44-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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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))
BDBM156385
PNG
(US9018381, 8 | US9248140, 8)
Show SMILES CCN(CCOP(O)(O)=O)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/C46H51ClF3N4O10PS3/c1-2-53(28-29-64-65(57,58)59)25-24-36(31-66-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)67(60,61)46(48,49)50)68(62,63)52-45(56)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(55)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55H,2,22-29,31H2,1H3,(H,52,56)(H2,57,58,59)/t36-,44-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.900n/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-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))
BDBM156385
PNG
(US9018381, 8 | US9248140, 8)
Show SMILES CCN(CCOP(O)(O)=O)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/C46H51ClF3N4O10PS3/c1-2-53(28-29-64-65(57,58)59)25-24-36(31-66-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)67(60,61)46(48,49)50)68(62,63)52-45(56)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(55)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55H,2,22-29,31H2,1H3,(H,52,56)(H2,57,58,59)/t36-,44-/m1/s1
PDB

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-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))
BDBM156385
PNG
(US9018381, 8 | US9248140, 8)
Show SMILES CCN(CCOP(O)(O)=O)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/C46H51ClF3N4O10PS3/c1-2-53(28-29-64-65(57,58)59)25-24-36(31-66-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)67(60,61)46(48,49)50)68(62,63)52-45(56)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(55)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55H,2,22-29,31H2,1H3,(H,52,56)(H2,57,58,59)/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 0.900n/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