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BDBM156394 US9018381, 17::US9018381, 18::US9248140, 18

SMILES: FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1

InChI Key: InChIKey=VSTRECJFPCMULL-GJSZZFLHSA-N

Data: 8 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 8 hits for monomerid = 156394   
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)
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
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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
Bcl-2-like protein 1


(Homo sapiens)
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
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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
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
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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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 7n/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))
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/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-XL


(Homo sapiens (Human))
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
PDB

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-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))
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
PDB

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-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))
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
PDB
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PC sid
UniChem

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n/an/a 7n/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