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BDBM179637 US9675697, Cpd. No. 317

SMILES: COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21

InChI Key: InChIKey=DLEHIPJVRSZXAI-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 179637   
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
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM179637
PNG
(US9675697, Cpd. No. 317)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
17 -10.6n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179637
PNG
(US9675697, Cpd. No. 317)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
7.80 -11.1n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179637
PNG
(US9675697, Cpd. No. 317)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
7.10 -11.1n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179637
PNG
(US9675697, Cpd. No. 317)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.5 -11.5n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM179637
PNG
(US9675697, Cpd. No. 317)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
39 -10.1n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 1 domain(BRD3 BD1)


(Homo sapiens (Human))
BDBM179637
PNG
(US9675697, Cpd. No. 317)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
23 -10.4n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair