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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50007074   
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


(Macaca fascicularis)
BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...


ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)
BDBM50156282
PNG
(CHEMBL3780847)
Show SMILES C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...


ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)
BDBM50156282
PNG
(CHEMBL3780847)
Show SMILES C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...


ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)
BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...


ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair