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BDBM50061185 (10R,13S)-10,13-Dimethyl-17-(1H-pyrazol-3-yl)-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-cyclopenta[a]phenanthren-3-one::CHEMBL113448

SMILES: C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccn[nH]1

InChI Key: InChIKey=COZCGUYKODBSPO-OWFQWTQZSA-N

Data: 2 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 2 hits for monomerid = 50061185   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50061185
PNG
((10R,13S)-10,13-Dimethyl-17-(1H-pyrazol-3-yl)-1,2,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccn[nH]1
Show InChI InChI=1S/C22H28N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h6,9,12-13,16-18H,3-5,7-8,10-11H2,1-2H3,(H,23,24)/t16?,17?,18?,21-,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat testicular microsomal Cytochrome P450 17A1


J Med Chem 40: 3297-304 (1997)


Article DOI: 10.1021/jm970337k
BindingDB Entry DOI: 10.7270/Q2ZS2VMD
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50061185
PNG
((10R,13S)-10,13-Dimethyl-17-(1H-pyrazol-3-yl)-1,2,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccn[nH]1
Show InChI InChI=1S/C22H28N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h6,9,12-13,16-18H,3-5,7-8,10-11H2,1-2H3,(H,23,24)/t16?,17?,18?,21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular microsomal Cytochrome P450 17A1


J Med Chem 40: 3297-304 (1997)


Article DOI: 10.1021/jm970337k
BindingDB Entry DOI: 10.7270/Q2ZS2VMD
More data for this
Ligand-Target Pair