Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'pettigrew' and Initial = 'jd'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636722 ((R)—N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(1-(2-...) Show SMILES C[C@](O)(CS(=O)(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636718 (US11826430, Compound 1.2a) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(cc1)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636723 ((S)—N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(1-(2-...) Show SMILES C[C@](O)(COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636724 (N-(2-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-di...) Show SMILES CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636721 (4-(3-(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-...) Show SMILES CC1(C)N(C2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM636722 ((R)—N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(1-(2-...) Show SMILES C[C@](O)(CS(=O)(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM636718 (US11826430, Compound 1.2a) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(cc1)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636726 (US11826430, Compound 1.8 | imidazolidin-1-yl)ethyl...) Show SMILES CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636725 (N-(2-(5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)p...) Show SMILES CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594883 (US11584756, Compound 2 | US11584756, Example S-2) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1ccc(Cl)cc1Cl)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594901 (US11584756, Compound 150 | US11584756, Example S-2...) Show SMILES CNC(=O)c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594911 (US11584756, Compound 159 | US11584756, Example S-3...) Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(ccc1Oc1ccc(F)cc1F)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594896 (US11584756, Compound 147 | US11584756, Example S-1...) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2s1)-c1cc(NS(=O)(=O)CC)ccc1Oc1c(C)cccc1C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594882 (US11584756, Compound 1 | US11584756, Example S-1) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM636723 ((S)—N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(1-(2-...) Show SMILES C[C@](O)(COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594884 (US11584756, Compound 3 | US11584756, Example S-3) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1ccc(F)cc1F)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594892 (US11584756, Compound 146 | US11584756, Example S-1...) Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636728 (4-(3-(4-(6-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCCCCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM636721 (4-(3-(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-...) Show SMILES CC1(C)N(C2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594902 (US11584756, Compound 151 | US11584756, Example S-2...) Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2sc(cc12)C(=O)Nc1ccccc1)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594895 (US11584756, Compound 10 | US11584756, Example S-14) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(c1)-c1cn(C)c(=O)c2sc(cc12)-c1nnc(C)o1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM636731 ((E)-4-(3-(4-(2-(3-(4-(2-(4-chloro-2-fluorophenyl)-...) Show SMILES CC\C(=C(\c1ccc(OCCCOCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636729 (4-(3-(4-(2-(3,5-difluoro-4-((1S,3S)-2-(2-fluoro-2-...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Estrogen receptor (Homo sapiens (Human))	BDBM636727 ((E)-4-(3-(4-(6-(4-(2-(4-chloro-2-fluorophenyl)-1-(...) Show SMILES CC\C(=C(\c1ccc(OCCCCCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636732 ((E)-4-(3-(4-(2-(3-(4-(2-(4-chloro-2-fluorophenyl)-...) Show SMILES CC\C(=C(\c1ccc(OCCCOCCN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM636724 (N-(2-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-di...) Show SMILES CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM636730 (E)-4-(3-(4-(6-(4-(2-(4-chloro-2-fluorophenyl)-1-(1...) Show SMILES CC\C(=C(\c1ccc(OCCCCCCN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM636728 (4-(3-(4-(6-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCCCCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594885 (US11584756, Compound 4 | US11584756, Example S-4) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(C)cccc2C)c(c1)-c1cn(C)c(=O)c2sc(cc12)-c1nnc(C)o1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636731 ((E)-4-(3-(4-(2-(3-(4-(2-(4-chloro-2-fluorophenyl)-...) Show SMILES CC\C(=C(\c1ccc(OCCCOCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594891 (US11584756, Compound 145 | US11584756, Example S-1...) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)C(C)(C)O)c2cc(sc2c1=O)C(=O)NC1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM636725 (N-(2-(5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)p...) Show SMILES CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594914 (US11584756, Compound 2.91 | US11584756, Example S-...) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2ccsc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM636727 ((E)-4-(3-(4-(6-(4-(2-(4-chloro-2-fluorophenyl)-1-(...) Show SMILES CC\C(=C(\c1ccc(OCCCCCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594893 (US11584756, Compound 13 | US11584756, Example S-12) Show SMILES Cc1nnc(o1)-c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594903 (US11584756, Compound 152 | US11584756, Example S-2...) Show SMILES Cc1nnc([nH]1)-c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM636726 (US11826430, Compound 1.8 | imidazolidin-1-yl)ethyl...) Show SMILES CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM638391 (Synthesis of (S)-4,11-diethyl-4-hydroxy-3,14-dioxo...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CCCCCCOc4cc(F)c(C5N(CC(C)(C)F)[C@H](C)Cc6c5[nH]c5ccccc65)c(F)c4)CC3)cc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM638393 (Synthesis of (S)-10-((dimethylamino)methyl)-4-ethy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCN(CCCCCCN(C)c6ccc(cc6)[C@H]6C[C@@]7(C)[C@@H](CC[C@]7(OC(C)=O)C(C)=O)[C@@H]7CCC8=CC(=O)CCC8=C67)CC5)c(CN(C)C)c4cc3Cn1c2=O |r,t:60,67| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM638390 (Synthesis of (S)-4,11-diethyl-4-hydroxy-3,14-dioxo...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCOc3cc(F)c(C4N(CC(C)(C)F)[C@H](C)Cc5c4[nH]c4ccccc54)c(F)c3)cc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM638392 (Synthesis of (S)-4,11-diethyl-4-hydroxy-3,14-dioxo...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCN(C)c3ccc(cc3)[C@H]3C[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]4CCC5=CC(=O)CCC5=C34)cc12 |r,t:74,81| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM638392 (Synthesis of (S)-4,11-diethyl-4-hydroxy-3,14-dioxo...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCN(C)c3ccc(cc3)[C@H]3C[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]4CCC5=CC(=O)CCC5=C34)cc12 |r,t:74,81| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594897 (US11584756, Compound 22 | US11584756, Example S-16) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)C(C)(C)O)c2cc(sc2c1=O)C(=O)N1CCC(F)(F)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594910 (US11584756, Compound 12 | US11584756, Example S-29) Show SMILES Cc1nnc(o1)-c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1ccc(F)cc1F)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594914 (US11584756, Compound 2.91 | US11584756, Example S-...) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2ccsc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594898 (US11584756, Compound 76 | US11584756, Example S-17) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)C(C)(C)O)c2cc(sc2c1=O)C(=O)N1CCC(F)(F)C1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594910 (US11584756, Compound 12 | US11584756, Example S-29) Show SMILES Cc1nnc(o1)-c1cc2c(cn(C)c(=O)c2s1)-c1cc(ccc1Oc1ccc(F)cc1F)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594911 (US11584756, Compound 159 | US11584756, Example S-3...) Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(ccc1Oc1ccc(F)cc1F)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594894 (US11584756, Compound 23 | US11584756, Example S-13) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)C(C)(C)O)c2cc(sc2c1=O)C(=O)N1CCCC(F)(F)C1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM594886 (US11584756, Compound 5 | US11584756, Example S-5) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)C(C)(C)O)c2cc(sc2c1=O)C(=O)NCC(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K0786J
					More data for this Ligand-Target Pair

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