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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'he' and Initial = 'qw'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50607981
PNG
(CHEMBL4782984)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:24,t:14,16,19|
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50607983
PNG
(CHEMBL1170915)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1 |r,c:24,t:14,16,19|
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50607982
PNG
(CHEMBL4789502)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC1CCCCC1 |r,c:24,t:14,16,19|
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50607984
PNG
(CHEMBL4758598)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1cccc(C)c1 |r,c:24,t:14,16,19|
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50607980
PNG
(CHEMBL4751648)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOC |r,c:24,t:14,16,19|
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50607985
PNG
(CHEMBL4763181)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1C |r,c:24,t:14,16,19|
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
PDB
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 1.40E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607986
PNG
(CHEMBL5291361)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(C)=O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:27,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
n/an/an/an/a 1.93E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607987
PNG
(CHEMBL5267681)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)CCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 2.09E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607988
PNG
(CHEMBL5291346)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)c5ccc(Br)cc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:34,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.64E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607989
PNG
(CHEMBL5289163)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)c5ccc(F)cc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:34,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 2.12E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607990
PNG
(CHEMBL5287369)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)C=C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:28,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 2.21E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607991
PNG
(CHEMBL5283469)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.97E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607992
PNG
(CHEMBL5281460)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:35,t:14,16,19|
PDB
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PC sid
UniChem
n/an/an/an/a 2.01E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607993
PNG
(CHEMBL5267627)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5ccccc5F)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:36,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.41E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607994
PNG
(CHEMBL5287882)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5cccc(Cl)c5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:36,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.57E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608002
PNG
(CHEMBL5268260)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCC(CC5)N5CCCCC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:40,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/a 3.80E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607996
PNG
(CHEMBL5289266)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)C(C)=C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.49E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607997
PNG
(CHEMBL5283733)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(CC)CC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:31,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 2.04E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607998
PNG
(CHEMBL5287993)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)CC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:30,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
n/an/an/an/a 1.87E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607999
PNG
(CHEMBL5284535)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(c5ccccc5)c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:41,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.99E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608000
PNG
(CHEMBL5290311)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5c6ccccc6Sc6ccccc56)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:43,t:14,16,19|
PDB
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UniChem
n/an/an/an/a 1.85E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608001
PNG
(CHEMBL5288481)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
PDB
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KEGG

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UniChem
n/an/an/an/a 2.39E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608002
PNG
(CHEMBL5268260)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCC(CC5)N5CCCCC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:40,t:14,16,19|
PDB
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UniChem
n/an/an/an/a 2.55E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608003
PNG
(CHEMBL5287213)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5c6ccccc6CCc6ccccc56)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:44,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.00E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608004
PNG
(CHEMBL5265939)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCCCC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:33,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
n/an/an/an/a 2.41E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608005
PNG
(CHEMBL5267595)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCCC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:32,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 2.43E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608006
PNG
(CHEMBL5267633)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5c6ccccc6C=Cc6ccccc56)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:32,44,t:14,16,19|
PDB
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UniProtKB/SwissProt

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UniChem
n/an/an/an/a 2.31E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608007
PNG
(CHEMBL5284075)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(C)CC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:34,t:14,16,19|
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
n/an/an/an/a 2.05E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608008
PNG
(CHEMBL5291409)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(CCC)CCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:33,t:14,16,19|
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 1.75E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608009
PNG
(CHEMBL5275224)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)CCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:31,t:14,16,19|
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PC sid
UniChem
n/an/an/an/a 2.05E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608010
PNG
(CHEMBL5272214)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)CCCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:32,t:14,16,19|
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PC sid
UniChem
n/an/an/an/a 2.03E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608011
PNG
(CHEMBL5287464)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(CCCC)CCCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:35,t:14,16,19|
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PC sid
UniChem
n/an/an/an/a 2.23E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608012
PNG
(CHEMBL5286412)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:40,t:14,16,19|
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PC sid
UniChem
n/an/an/an/a 1.93E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608013
PNG
(CHEMBL5287104)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccc(Cl)cc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:41,t:14,16,19|
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UniChem
n/an/an/an/a 2.01E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608014
PNG
(CHEMBL5269146)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccccc5Cl)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:41,t:14,16,19|
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PC sid
UniChem
n/an/an/an/a 2.03E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608015
PNG
(CHEMBL5272129)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5cccc(OC)c5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:42,t:14,16,19|
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UniChem
n/an/an/an/a 1.96E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50608016
PNG
(CHEMBL5291370)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccccc5OC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:42,t:14,16,19|
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PC sid
UniChem
n/an/an/an/a 1.82E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607981
PNG
(CHEMBL4782984)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:24,t:14,16,19|
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UniProtKB/SwissProt

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PC sid
UniChem
n/an/an/a 900n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607985
PNG
(CHEMBL4763181)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1C |r,c:24,t:14,16,19|
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UniChem
n/an/an/an/a 1.70E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607984
PNG
(CHEMBL4758598)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1cccc(C)c1 |r,c:24,t:14,16,19|
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PC sid
UniChem
n/an/an/an/a 1.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607983
PNG
(CHEMBL1170915)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1 |r,c:24,t:14,16,19|
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UniProtKB/SwissProt

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PC sid
UniChem
n/an/an/an/a 1.60E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607982
PNG
(CHEMBL4789502)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC1CCCCC1 |r,c:24,t:14,16,19|
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UniProtKB/SwissProt

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PC sid
UniChem
n/an/an/an/a 2.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607981
PNG
(CHEMBL4782984)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:24,t:14,16,19|
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
n/an/an/an/a 1.80E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607980
PNG
(CHEMBL4751648)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOC |r,c:24,t:14,16,19|
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UniProtKB/SwissProt

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UniChem
n/an/an/an/a 4.40E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50607995
PNG
(CHEMBL5278099)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5cccc(C)c5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:36,t:14,16,19|
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UniChem
n/an/an/an/a 1.78E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair