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Compounds Sorted by Binding Targets per Compound

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Compounds Sorted Alphabetically

Compound Name (alphabetical)	Binding Targets	Enz. Inhib. Data							ITC Data	Alternate Compound Names
		Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM100259	Alpha trans-inducing protein (VP16) COUP transcription factor 2 isoform a Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) Disintegrin and metalloproteinase domain-containing protein 17	0	4	0	0	0	0	0	0	2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1-cyclohepta-2,4,6-trienone 2-hydroxy-3-[(E)-3-(4-nitrophenyl)acryloyl]cyclohepta-2,4,6-trien-1-one 2-hydroxy-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one MLS002701851 SMR001565443 cid_6302331
BDBM100348	Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase SYK	0	2	18	0	0	0	0	0	US10533001, Example Table 9a.1 US8501944, 370 US8501944, 374 US9868729, Example 38
BDBM100350	Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase SYK	0	14	18	0	0	0	0	0	US10533001, Example 99 US8501944, 372 US8501944, 375 US9868729, Example 99
BDBM100351	Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase SYK	0	2	18	0	0	0	0	0	US10533001, Example Table 9a.4 US8501944, 373 US8501944, 376 US9868729, Example 254
BDBM100423	EBifunctional epoxide hydrolase 2 Epoxide hydrolase Epoxide hydrolase 1 Soluble Epoxide Hydrolase	1	6	0	0	0	0	0	0	US10383835, Compound 1153 US8501783, 1153
BDBM10145	Beta-secretase 1 Beta-secretase 2 Cathepsin D HIV-1 Protease	0	4	0	0	0	0	0	0	lysine sulfonamide analogue 9 methyl N-[(1S)-1-{[(5R)-5-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-6-hydroxyhexyl]carbamoyl}-2-phenylethyl]-N-methylcarbamate sulfonamide tricyclic analogue, 9
BDBM10246	Caspase-1 Caspase-3 Caspase-7 Caspase-8	3	22	0	0	0	0	0	1	(4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid Ac-DEVD-CHO CHEMBL417149
BDBM103736	JAK1 (aa 850-1154) JAK2 (aa 808-1132) Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2	0	4	0	0	0	0	0	0	US10206907, Compound 207 US8563545, 10
BDBM103908	Carbonic anhydrase 2 Carbonic anhydrase 9 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 8	0	4	0	0	0	0	0	0	JNK3 inhibitor 5 US8562945, 241
BDBM103909	Carbonic anhydrase 2 Carbonic anhydrase 9 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 8	0	4	0	0	0	0	0	0	JNK3 inhibitor 6 US8562945, 242
BDBM103910	Carbonic anhydrase 2 Carbonic anhydrase 9 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 8	0	4	0	0	0	0	0	0	JNK3 inhibitor 7 US8562945, 243
BDBM104020	Aldo-keto reductase family member 1B10 (AKR1B10) Aldose reductase Aldose reductase (AR) Methylated AKR1B10 K125R/V301L (AKME2MU)	0	6	0	0	0	0	0	0	MK181
BDBM104066	Death-associated protein kinase 1 Serine/threonine-protein kinase pim-1 Serine/threonine-protein kinase pim-2 Serine/threonine-protein kinase pim-3	0	0	6	0	0	0	0	0	HS43
BDBM104101	HIV-1 protease HIV-1 protease M2 HIV-1 protease M3 HIV-1 protease M4	4	0	0	0	0	0	0	0	MIT-2-AD-93 (AD-93)
BDBM104110	HIV-1 protease M1 HIV-1 protease M2 HIV-1 protease M3 HIV-1 protease M4	4	0	0	0	0	0	0	0	3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl](2- methylbutyl)amino]-1-(phenylmethyl)propyl]-benzamide (AF-80)
BDBM10443	Acetylcholinesterase Carboxylic ester hydrolase Neutrophil cytosol factor 1 Pteridine reductase 1	1	3	1	0	0	0	0	0	2-methylquinolin-4-amine 4-Aminoquinaldine 4
BDBM104689	Orexin receptor type 1 Orexin receptor type 1 (OX1) Orexin receptor type 2 Orexin receptor type 2 (OX2)	4	2	0	0	0	0	0	0	US8569311, A-9
BDBM104692	Orexin receptor type 1 Orexin receptor type 1 (OX1) Orexin receptor type 2 Orexin receptor type 2 (OX2)	12	4	0	0	0	0	0	0	US8569311, E-5
BDBM10527	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	13	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid BROMOMETHOXYPHENYL INHIBITOR valine aspartyl ketone 29 valine aspartyl ketone 6 valine aspartyl ketone analog 10
BDBM10528	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)propanamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 7
BDBM10529	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pentanamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 8
BDBM10530	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)-3-phenylpropanamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 9
BDBM10531	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 10
BDBM10532	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-{[1-(5-bromo-2-methoxyphenyl)cyclopropyl]formamido}-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 11
BDBM10533	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pent-4-enamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 12
BDBM10534	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pent-4-ynamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 13
BDBM10535	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo-2-methoxyphenyl)pent-4-ynamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 14
BDBM10536	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	8	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phenylacetamido)butanamido]-4-oxopentanoic acid valine aspartyl ketone 15 valine aspartyl ketone analog 9
BDBM10537	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 16
BDBM10538	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 17
BDBM10539	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 18
BDBM10540	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 19
BDBM10541	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-methoxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 20
BDBM10542	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-phenylpropanamido)-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 21
BDBM10543	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2,2-diphenylacetamido)-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 22
BDBM10544	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-ethyl-2-hydroxybutanamido)-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 23
BDBM10545	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-methylpropanamido)-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 24
BDBM10546	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclopropyl)formamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 25
BDBM10547	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamido]butanamido]-4-oxopentanoic acid valine aspartyl ketone 26
BDBM10548	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	8	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 27 valine aspartyl ketone analog 1
BDBM10549	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0	0	0	0	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyacetamido]-3-methylbutanamido]-4-oxopentanoic acid valine aspartyl ketone 28
BDBM10551	Caspase-1 Caspase-3 Caspase-7 Caspase-8	0	4	0	0	0

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