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BDBM36810 BMS753::US9963439, BMS753

SMILES: CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=KFBPBWUZXBYJDG-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 36810   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic Acid Receptors Gamma / Alpha


(Homo sapiens (Human))
BDBM36810
PNG
(BMS753 | US9963439, BMS753)
Show SMILES CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
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Article
PubMed
1 -11.4n/an/an/an/an/a8.04



Institute of Genetics and Molecular and Cellular Biology (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)


Article DOI: 10.1016/S1074-5521(99)80084-2
BindingDB Entry DOI: 10.7270/Q2CV4G39
More data for this
Ligand-Target Pair
Retinoic Acid Receptor, alpha


(Homo sapiens (Human))
BDBM36810
PNG
(BMS753 | US9963439, BMS753)
Show SMILES CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
PDB
MMDB

KEGG

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PC sid
UniChem

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Article
PubMed
2 -11.0n/an/an/an/an/a8.04



Institute of Genetics and Molecular and Cellular Biology (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)


Article DOI: 10.1016/S1074-5521(99)80084-2
BindingDB Entry DOI: 10.7270/Q2CV4G39
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM36810
PNG
(BMS753 | US9963439, BMS753)
Show SMILES CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
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MMDB

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US Patent
n/an/a 2.90E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


US Patent US9963439 (2018)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM36810
PNG
(BMS753 | US9963439, BMS753)
Show SMILES CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
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PC sid
UniChem

Patents


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US Patent
n/an/a 4.02E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...


US Patent US9963439 (2018)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair