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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 322.3
BDBM340040
Wt: 322.3
BDBM340041
Wt: 326.7
BDBM340042
Wt: 360.2
BDBM340043
Wt: 376.2
BDBM340044
Wt: 332.3
BDBM340045
Wt: 326.7
BDBM340046
Wt: 340.7
BDBM340047
Wt: 366.8
BDBM340049
Wt: 292.2
BDBM340053
Wt: 310.2
BDBM340054
Wt: 326.7
BDBM340055
Wt: 310.2
BDBM340056
Wt: 340.7
BDBM340057
Wt: 366.8
BDBM340058
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340045
PNG
(2-(5-Cyclopropyl-2-methyl-2H-indazol-3-yl)-1H-pyrr...)
Show SMILES Cn1nc2ccc(cc2c1-c1cc2nccc(C(O)=O)c2[nH]1)C1CC1
Show InChI InChI=1S/C19H16N4O2/c1-23-18(13-8-11(10-2-3-10)4-5-14(13)22-23)16-9-15-17(21-16)12(19(24)25)6-7-20-15/h4-10,21H,2-3H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340056
PNG
(2-(6-Fluoro-1-methyl-1H-indazol-3-yl)-1H-pyrrolo[3...)
Show SMILES Cn1nc(-c2cc3nccc(C(O)=O)c3[nH]2)c2ccc(F)cc12
Show InChI InChI=1S/C16H11FN4O2/c1-21-13-6-8(17)2-3-9(13)15(20-21)12-7-11-14(19-12)10(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340055
PNG
(2-(6-Chloro-1-methyl-1H-indazol-3-yl)-1H-pyrrolo[3...)
Show SMILES Cn1nc(-c2cc3nccc(C(O)=O)c3[nH]2)c2ccc(Cl)cc12
Show InChI InChI=1S/C16H11ClN4O2/c1-21-13-6-8(17)2-3-9(13)15(20-21)12-7-11-14(19-12)10(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340054
PNG
(2-(5-Fluoro-1-methyl-1H-indazol-3-yl)-1H-pyrrolo[3...)
Show SMILES Cn1nc(-c2cc3nccc(C(O)=O)c3[nH]2)c2cc(F)ccc12
Show InChI InChI=1S/C16H11FN4O2/c1-21-13-3-2-8(17)6-10(13)15(20-21)12-7-11-14(19-12)9(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340053
PNG
(2-(1-Methyl-1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyri...)
Show SMILES Cn1nc(-c2cc3nccc(C(O)=O)c3[nH]2)c2ccccc12
Show InChI InChI=1S/C16H12N4O2/c1-20-13-5-3-2-4-9(13)15(19-20)12-8-11-14(18-12)10(16(21)22)6-7-17-11/h2-8,18H,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340041
PNG
(2-(5-Methoxy-2-methyl-2H-indazol-3-yl)-1H-pyrrolo[...)
Show SMILES COc1ccc2nn(C)c(-c3cc4nccc(C(O)=O)c4[nH]3)c2c1
Show InChI InChI=1S/C17H14N4O3/c1-21-16(11-7-9(24-2)3-4-12(11)20-21)14-8-13-15(19-14)10(17(22)23)5-6-18-13/h3-8,19H,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340042
PNG
(2-(6-Chloro-2-methyl-2H-indazol-3-yl)-1H-pyrrolo[3...)
Show SMILES Cn1nc2cc(Cl)ccc2c1-c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C16H11ClN4O2/c1-21-15(9-3-2-8(17)6-11(9)20-21)13-7-12-14(19-13)10(16(22)23)4-5-18-12/h2-7,19H,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340040
PNG
(2-(6-Methoxy-2-methyl-2H-indazol-3-yl)-1H-pyrrolo[...)
Show SMILES COc1ccc2c(-c3cc4nccc(C(O)=O)c4[nH]3)n(C)nc2c1
Show InChI InChI=1S/C17H14N4O3/c1-21-16(10-4-3-9(24-2)7-12(10)20-21)14-8-13-15(19-14)11(17(22)23)5-6-18-13/h3-8,19H,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340057
PNG
(2-(6-Chloro-1-ethyl-1H-indazol-3-yl)-1H-pyrrolo[3,...)
Show SMILES CCn1nc(-c2cc3nccc(C(O)=O)c3[nH]2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H13ClN4O2/c1-2-22-14-7-9(18)3-4-10(14)16(21-22)13-8-12-15(20-13)11(17(23)24)5-6-19-12/h3-8,20H,2H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340049
PNG
(2-[6-Chloro-2-(cyclopropylmethyl)-2H-indazol-3-yl]...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)-c1n(CC2CC2)nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H15ClN4O2/c20-11-3-4-12-14(7-11)23-24(9-10-1-2-10)18(12)16-8-15-17(22-16)13(19(25)26)5-6-21-15/h3-8,10,22H,1-2,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340058
PNG
(2-[6-Chloro-1-(cyclopropylmethyl)-1H-indazol-3-yl]...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)-c1nn(CC2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H15ClN4O2/c20-11-3-4-12-16(7-11)24(9-10-1-2-10)23-18(12)15-8-14-17(22-15)13(19(25)26)5-6-21-14/h3-8,10,22H,1-2,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340046
PNG
(2-(5-Chloro-2-methyl-2H-indazol-3-yl)-1H-pyrrolo[3...)
Show SMILES Cn1nc2ccc(Cl)cc2c1-c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C16H11ClN4O2/c1-21-15(10-6-8(17)2-3-11(10)20-21)13-7-12-14(19-13)9(16(22)23)4-5-18-12/h2-7,19H,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340044
PNG
(2-[2-Methyl-5-(trifluoromethoxy)-2H-indazol-3-yl]-...)
Show SMILES Cn1nc2ccc(OC(F)(F)F)cc2c1-c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C17H11F3N4O3/c1-24-15(10-6-8(27-17(18,19)20)2-3-11(10)23-24)13-7-12-14(22-13)9(16(25)26)4-5-21-12/h2-7,22H,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340043
PNG
(2-[2-Methyl-5-(trifluoromethyl)-2H-indazol-3-yl]-1...)
Show SMILES Cn1nc2ccc(cc2c1-c1cc2nccc(C(O)=O)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N4O2/c1-24-15(10-6-8(17(18,19)20)2-3-11(10)23-24)13-7-12-14(22-13)9(16(25)26)4-5-21-12/h2-7,22H,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (JMJD2C)


(Homo sapiens (Human))
BDBM340047
PNG
(2-(6-Chloro-2-ethyl-2H-indazol-3-yl)-1H-pyrrolo[3,...)
Show SMILES CCn1nc2cc(Cl)ccc2c1-c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C17H13ClN4O2/c1-2-22-16(10-4-3-9(18)7-12(10)21-22)14-8-13-15(20-14)11(17(23)24)5-6-19-13/h3-8,20H,2H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9758517 (2017)

More data for this
Ligand-Target Pair