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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'srivatsan' and Initial = 'v'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
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KEGG
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PC cid
PC sid
PDB
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Patents

PDB
PubMed
n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 35: 931-8 (1992)


BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50230556
PNG
(CHEMBL176509)
Show SMILES Oc1ccc(cc1)C1=C(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CC1 |c:8|
PDB

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CHEMBL
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PubMed
n/an/a 73n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 35: 931-8 (1992)


BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50230557
PNG
(CHEBI:90187 | LY-117018)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCC2)cc1
PDB

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PC sid
PDB
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n/an/a 120n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 35: 931-8 (1992)


BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50230560
PNG
(CHEMBL2112950)
Show SMILES Oc1ccc-2c(c1)C(c1c-2ccc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 125n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 35: 931-8 (1992)


BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
PDB

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n/an/a 170n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 35: 931-8 (1992)


BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50230558
PNG
(CHEMBL2112949)
Show SMILES Oc1ccc2c3C(c4ccccc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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n/an/a 740n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 35: 931-8 (1992)


BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50230559
PNG
(CHEMBL367432)
Show SMILES Oc1ccc2C(C(=O)c3ccc(OCCN4CCCCC4)cc3)=C(CCc2c1)c1ccccc1 |c:24|
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 1.65E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 35: 931-8 (1992)


BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair