BindingDB logo
myBDB logout

PubMed code 28350999

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))		BDBM50245656
PNG
(CHEMBL4059780)
Show SMILES Cc1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Show InChI InChI=1S/C18H17FN2S/c1-12-4-6-20-9-13(12)10-21-7-5-15-16-8-14(19)2-3-17(16)22-18(15)11-21/h2-4,6,8-9H,5,7,10-11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50245656
PNG
(CHEMBL4059780)
Show SMILES Cc1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Show InChI InChI=1S/C18H17FN2S/c1-12-4-6-20-9-13(12)10-21-7-5-15-16-8-14(19)2-3-17(16)22-18(15)11-21/h2-4,6,8-9H,5,7,10-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245683
PNG
(CHEMBL4064141)
Show SMILES Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H16N2OS/c20-13-3-4-16-15(8-13)14-5-7-19(11-17(14)21-16)10-12-2-1-6-18-9-12/h1-4,6,8-9,20H,5,7,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50245664
PNG
(CHEMBL4068802)
Show SMILES Fc1ccc2sc3CN(Cc4c[nH]cn4)CCc3c2c1
Show InChI InChI=1S/C15H14FN3S/c16-10-1-2-14-13(5-10)12-3-4-19(8-15(12)20-14)7-11-6-17-9-18-11/h1-2,5-6,9H,3-4,7-8H2,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50245683
PNG
(CHEMBL4064141)
Show SMILES Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H16N2OS/c20-13-3-4-16-15(8-13)14-5-7-19(11-17(14)21-16)10-12-2-1-6-18-9-12/h1-4,6,8-9,20H,5,7,10-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23|
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245688
PNG
(CHEMBL4083609)
Show SMILES C(N1CCc2c(C1)sc1ccccc21)c1cccnc1
Show InChI InChI=1S/C17H16N2S/c1-2-6-16-14(5-1)15-7-9-19(12-17(15)20-16)11-13-4-3-8-18-10-13/h1-6,8,10H,7,9,11-12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245657
PNG
(CHEMBL4101612)
Show SMILES Fc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H15FN2S/c18-13-3-4-16-15(8-13)14-5-7-20(11-17(14)21-16)10-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50245657
PNG
(CHEMBL4101612)
Show SMILES Fc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H15FN2S/c18-13-3-4-16-15(8-13)14-5-7-20(11-17(14)21-16)10-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7,10-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245664
PNG
(CHEMBL4068802)
Show SMILES Fc1ccc2sc3CN(Cc4c[nH]cn4)CCc3c2c1
Show InChI InChI=1S/C15H14FN3S/c16-10-1-2-14-13(5-10)12-3-4-19(8-15(12)20-14)7-11-6-17-9-18-11/h1-2,5-6,9H,3-4,7-8H2,(H,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245654
PNG
(CHEMBL4063960)
Show SMILES COc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Show InChI InChI=1S/C18H17FN2OS/c1-22-14-6-12(8-20-9-14)10-21-5-4-15-16-7-13(19)2-3-17(16)23-18(15)11-21/h2-3,6-9H,4-5,10-11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23|
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50245655
PNG
(CHEMBL4091726)
Show SMILES Fc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Show InChI InChI=1S/C17H14F2N2S/c18-12-1-2-16-15(6-12)14-3-4-21(10-17(14)22-16)9-11-5-13(19)8-20-7-11/h1-2,5-8H,3-4,9-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50245654
PNG
(CHEMBL4063960)
Show SMILES COc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Show InChI InChI=1S/C18H17FN2OS/c1-22-14-6-12(8-20-9-14)10-21-5-4-15-16-7-13(19)2-3-17(16)23-18(15)11-21/h2-3,6-9H,4-5,10-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245655
PNG
(CHEMBL4091726)
Show SMILES Fc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Show InChI InChI=1S/C17H14F2N2S/c18-12-1-2-16-15(6-12)14-3-4-21(10-17(14)22-16)9-11-5-13(19)8-20-7-11/h1-2,5-8H,3-4,9-10H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245668
PNG
(CHEMBL4083029)
Show SMILES Fc1ccc2sc3CN(Cc4cnccc4C4CC4)CCc3c2c1
Show InChI InChI=1S/C20H19FN2S/c21-15-3-4-19-18(9-15)17-6-8-23(12-20(17)24-19)11-14-10-22-7-5-16(14)13-1-2-13/h3-5,7,9-10,13H,1-2,6,8,11-12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245669
PNG
(CHEMBL4077026)
Show SMILES Fc1ccc2sc3CN(Cc4cnccc4Br)CCc3c2c1
Show InChI InChI=1S/C17H14BrFN2S/c18-15-3-5-20-8-11(15)9-21-6-4-13-14-7-12(19)1-2-16(14)22-17(13)10-21/h1-3,5,7-8H,4,6,9-10H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245694
PNG
(CHEMBL4101951)
Show SMILES Fc1ccc2sc3CN(Cc4cncnc4)CCc3c2c1
Show InChI InChI=1S/C16H14FN3S/c17-12-1-2-15-14(5-12)13-3-4-20(9-16(13)21-15)8-11-6-18-10-19-7-11/h1-2,5-7,10H,3-4,8-9H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245684
PNG
(CHEMBL4085705)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C23H27BN2O2S/c1-22(2)23(3,4)28-24(27-22)17-7-8-20-19(12-17)18-9-11-26(15-21(18)29-20)14-16-6-5-10-25-13-16/h5-8,10,12-13H,9,11,14-15H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245666
PNG
(CHEMBL4083961)
Show SMILES Cc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Show InChI InChI=1S/C18H17FN2S/c1-12-6-13(9-20-8-12)10-21-5-4-15-16-7-14(19)2-3-17(16)22-18(15)11-21/h2-3,6-9H,4-5,10-11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 121n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245689
PNG
(CHEMBL4093882)
Show SMILES C(N1CCc2c(C1)[nH]c1ccccc21)c1cccnc1
Show InChI InChI=1S/C17H17N3/c1-2-6-16-14(5-1)15-7-9-20(12-17(15)19-16)11-13-4-3-8-18-10-13/h1-6,8,10,19H,7,9,11-12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 229n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245697
PNG
(CHEMBL4077854)
Show SMILES N#Cc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C18H15N3S/c19-9-13-3-4-17-16(8-13)15-5-7-21(12-18(15)22-17)11-14-2-1-6-20-10-14/h1-4,6,8,10H,5,7,11-12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 257n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245698
PNG
(CHEMBL4072156)
Show SMILES Cc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C18H18N2S/c1-13-4-5-17-16(9-13)15-6-8-20(12-18(15)21-17)11-14-3-2-7-19-10-14/h2-5,7,9-10H,6,8,11-12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 257n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245658
PNG
(CHEMBL4090236)
Show SMILES Fc1ccc2sc3CN(Cc4cncc5ccccc45)CCc3c2c1
Show InChI InChI=1S/C21H17FN2S/c22-16-5-6-20-19(9-16)18-7-8-24(13-21(18)25-20)12-15-11-23-10-14-3-1-2-4-17(14)15/h1-6,9-11H,7-8,12-13H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245687
PNG
(CHEMBL4091391)
Show SMILES Clc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H15ClN2S/c18-13-3-4-16-15(8-13)14-5-7-20(11-17(14)21-16)10-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 449n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245686
PNG
(CHEMBL4063548)
Show SMILES Brc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H15BrN2S/c18-13-3-4-16-15(8-13)14-5-7-20(11-17(14)21-16)10-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 517n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245695
PNG
(CHEMBL4072550)
Show SMILES CC(C)c1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Show InChI InChI=1S/C20H21FN2S/c1-13(2)16-5-7-22-10-14(16)11-23-8-6-17-18-9-15(21)3-4-19(18)24-20(17)12-23/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 535n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50245664
PNG
(CHEMBL4068802)
Show SMILES Fc1ccc2sc3CN(Cc4c[nH]cn4)CCc3c2c1
Show InChI InChI=1S/C15H14FN3S/c16-10-1-2-14-13(5-10)12-3-4-19(8-15(12)20-14)7-11-6-17-9-18-11/h1-2,5-6,9H,3-4,7-8H2,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 685n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245667
PNG
(CHEMBL4099464)
Show SMILES CC(=C)c1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Show InChI InChI=1S/C20H19FN2S/c1-13(2)16-5-7-22-10-14(16)11-23-8-6-17-18-9-15(21)3-4-19(18)24-20(17)12-23/h3-5,7,9-10H,1,6,8,11-12H2,2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245670
PNG
(CHEMBL4072728)
Show SMILES Fc1ccc2sc3CN(CCc3c2c1)C(=O)c1cccnc1
Show InChI InChI=1S/C17H13FN2OS/c18-12-3-4-15-14(8-12)13-5-7-20(10-16(13)22-15)17(21)11-2-1-6-19-9-11/h1-4,6,8-9H,5,7,10H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245696
PNG
(CHEMBL4061151)
Show SMILES Fc1ccc2sc3CN(Cc4cnccc4-c4ccccc4)CCc3c2c1
Show InChI InChI=1S/C23H19FN2S/c24-18-6-7-22-21(12-18)20-9-11-26(15-23(20)27-22)14-17-13-25-10-8-19(17)16-4-2-1-3-5-16/h1-8,10,12-13H,9,11,14-15H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245685
PNG
(CHEMBL4099128)
Show SMILES COc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C18H18N2OS/c1-21-14-4-5-17-16(9-14)15-6-8-20(12-18(15)22-17)11-13-3-2-7-19-10-13/h2-5,7,9-10H,6,8,11-12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245671
PNG
(CHEMBL4074529)
Show SMILES CC(=O)Nc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C19H19N3OS/c1-13(23)21-15-4-5-18-17(9-15)16-6-8-22(12-19(16)24-18)11-14-3-2-7-20-10-14/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245665
PNG
(CHEMBL4096103)
Show SMILES Fc1ccc2sc3CN(Cc4ccncc4)CCc3c2c1
Show InChI InChI=1S/C17H15FN2S/c18-13-1-2-16-15(9-13)14-5-8-20(11-17(14)21-16)10-12-3-6-19-7-4-12/h1-4,6-7,9H,5,8,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245673
PNG
(CHEMBL4102114)
Show SMILES CNC(=O)c1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C19H19N3OS/c1-20-19(23)14-4-5-17-16(9-14)15-6-8-22(12-18(15)24-17)11-13-3-2-7-21-10-13/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,20,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50245672
PNG
(CHEMBL4078455)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C22H25N3O2S/c1-22(2,3)27-21(26)24-16-6-7-19-18(11-16)17-8-10-25(14-20(17)28-19)13-15-5-4-9-23-12-15/h4-7,9,11-12H,8,10,13-14H2,1-3H3,(H,24,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23|
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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50245683
PNG
(CHEMBL4064141)
Show SMILES Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H16N2OS/c20-13-3-4-16-15(8-13)14-5-7-19(11-17(14)21-16)10-12-2-1-6-18-9-12/h1-4,6,8-9,20H,5,7,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.28E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50245654
PNG
(CHEMBL4063960)
Show SMILES COc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Show InChI InChI=1S/C18H17FN2OS/c1-22-14-6-12(8-20-9-14)10-21-5-4-15-16-7-13(19)2-3-17(16)23-18(15)11-21/h2-3,6-9H,4-5,10-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.53E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50245657
PNG
(CHEMBL4101612)
Show SMILES Fc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Show InChI InChI=1S/C17H15FN2S/c18-13-3-4-16-15(8-13)14-5-7-20(11-17(14)21-16)10-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50245656
PNG
(CHEMBL4059780)
Show SMILES Cc1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Show InChI InChI=1S/C18H17FN2S/c1-12-4-6-20-9-13(12)10-21-7-5-15-16-8-14(19)2-3-17(16)22-18(15)11-21/h2-4,6,8-9H,5,7,10-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.56E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50245655
PNG
(CHEMBL4091726)
Show SMILES Fc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Show InChI InChI=1S/C17H14F2N2S/c18-12-1-2-16-15(6-12)14-3-4-21(10-17(14)22-16)9-11-5-13(19)8-20-7-11/h1-2,5-8H,3-4,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.03E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4

Eur J Med Chem 132: 157-172 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SB4858
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%