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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50029227   
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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PC cid
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PubMed
n/an/a 38n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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PubMed
n/an/a 38n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair