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13 similar compounds to monomer 50154756

Compile data set for download or QSAR
Wt: 341.4
BDBM50154750		Wt: 262.3
BDBM50154751		Wt: 263.2
BDBM50154725		Wt: 294.3
BDBM50154722		Wt: 280.2
BDBM50154723
Wt: 305.3
BDBM50154728		Wt: 296.7
BDBM50154729		Wt: 319.4
BDBM50154730		Wt: 276.3
BDBM50154733		Wt: 319.4
BDBM50154740
Wt: 292.3
BDBM50154741		Wt: 341.4
BDBM50154742		Wt: 324.7
BDBM50154746

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50154750,50154751,50154725,50154722,50154723,50154728,50154729,50154730,50154733,50154740,50154741,50154742,50154746   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154730
PNG
(6-(4-((dimethylamino)methyl)phenyl)-3,4-dihydro-[1...)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C20H21N3O/c1-22(2)13-14-6-8-15(9-7-14)18-12-16-4-3-5-17-19(16)23(18)11-10-21-20(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
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 6.40n/an/an/an/an/an/an/an/a



Johns Hopkins University Brain Science Institute

Curated by ChEMBL


Assay Description
Inhibition of PARP1

J Med Chem 53: 4561-84 (2010)


Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154730
PNG
(6-(4-((dimethylamino)methyl)phenyl)-3,4-dihydro-[1...)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C20H21N3O/c1-22(2)13-14-6-8-15(9-7-14)18-12-16-4-3-5-17-19(16)23(18)11-10-21-20(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
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 6.40n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154750
PNG
(6-(4-Pyrrol-1-ylmethyl-phenyl)-3,4-dihydro-2H-[1,4...)
Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1ccc(Cn2cccc2)cc1
Show InChI InChI=1S/C22H19N3O/c26-22-19-5-3-4-18-14-20(25(21(18)19)13-10-23-22)17-8-6-16(7-9-17)15-24-11-1-2-12-24/h1-9,11-12,14H,10,13,15H2,(H,23,26)
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 6.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154728
PNG
(6-(3-Methylaminomethyl-phenyl)-3,4-dihydro-2H-[1,4...)
Show SMILES CNCc1cccc(c1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H19N3O/c1-20-12-13-4-2-5-14(10-13)17-11-15-6-3-7-16-18(15)22(17)9-8-21-19(16)23/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,23)
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 6.90n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154741
PNG
(6-(4-Methoxy-phenyl)-3,4-dihydro-2H-[1,4]diazepino...)
Show SMILES COc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C18H16N2O2/c1-22-14-7-5-12(6-8-14)16-11-13-3-2-4-15-17(13)20(16)10-9-19-18(15)21/h2-8,11H,9-10H2,1H3,(H,19,21)
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 8.20n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154740
PNG
(6-(3-Dimethylaminomethyl-phenyl)-3,4-dihydro-2H-[1...)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C20H21N3O/c1-22(2)13-14-5-3-6-15(11-14)18-12-16-7-4-8-17-19(16)23(18)10-9-21-20(17)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)
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 9.10n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154723
PNG
(6-(4-Fluoro-phenyl)-3,4-dihydro-2H-[1,4]diazepino[...)
Show SMILES Fc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H13FN2O/c18-13-6-4-11(5-7-13)15-10-12-2-1-3-14-16(12)20(15)9-8-19-17(14)21/h1-7,10H,8-9H2,(H,19,21)
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 11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1

J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154723
PNG
(6-(4-Fluoro-phenyl)-3,4-dihydro-2H-[1,4]diazepino[...)
Show SMILES Fc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H13FN2O/c18-13-6-4-11(5-7-13)15-10-12-2-1-3-14-16(12)20(15)9-8-19-17(14)21/h1-7,10H,8-9H2,(H,19,21)
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 11n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154729
PNG
(6-(4-Chloro-phenyl)-3,4-dihydro-2H-[1,4]diazepino[...)
Show SMILES Clc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H13ClN2O/c18-13-6-4-11(5-7-13)15-10-12-2-1-3-14-16(12)20(15)9-8-19-17(14)21/h1-7,10H,8-9H2,(H,19,21)
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 11n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154742
PNG
(6-(3-Pyrrol-1-ylmethyl-phenyl)-3,4-dihydro-2H-[1,4...)
Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1cccc(Cn2cccc2)c1
Show InChI InChI=1S/C22H19N3O/c26-22-19-8-4-7-18-14-20(25(21(18)19)12-9-23-22)17-6-3-5-16(13-17)15-24-10-1-2-11-24/h1-8,10-11,13-14H,9,12,15H2,(H,23,26)
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 12.5n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154751
PNG
(6-Phenyl-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]in...)
Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1ccccc1
Show InChI InChI=1S/C17H14N2O/c20-17-14-8-4-7-13-11-15(12-5-2-1-3-6-12)19(16(13)14)10-9-18-17/h1-8,11H,9-10H2,(H,18,20)
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 14.3n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154722
PNG
(6-(4-Fluoro-phenyl)-7-methyl-3,4-dihydro-2H-[1,4]d...)
Show SMILES Cc1c(-c2ccc(F)cc2)n2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C18H15FN2O/c1-11-14-3-2-4-15-17(14)21(10-9-20-18(15)22)16(11)12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)
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 22n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154733
PNG
(7-Methyl-6-phenyl-3,4-dihydro-2H-[1,4]diazepino[6,...)
Show SMILES Cc1c(-c2ccccc2)n2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C18H16N2O/c1-12-14-8-5-9-15-17(14)20(11-10-19-18(15)21)16(12)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,21)
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 41n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154746
PNG
(6-(4-Chloro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...)
Show SMILES Clc1ccc(cc1)-c1c(C=O)c2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C18H13ClN2O2/c19-12-6-4-11(5-7-12)16-15(10-22)13-2-1-3-14-17(13)21(16)9-8-20-18(14)23/h1-7,10H,8-9H2,(H,20,23)
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 43n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50154725
PNG
(6-Pyridin-2-yl-3,4-dihydro-2H-[1,4]diazepino[6,7,1...)
Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1ccccn1
Show InChI InChI=1S/C16H13N3O/c20-16-12-5-3-4-11-10-14(13-6-1-2-7-17-13)19(15(11)12)9-8-18-16/h1-7,10H,8-9H2,(H,18,20)
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 68n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair