Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM104963
 | 0 | 15 | 2 | 0 | 0 | 0 | 0 | 0 | - Dual specificity mitogen-activated protein kinase kinase 1
- Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
- Dual specificity mitogen-activated protein kinase kinase; MEK1/2
- Mitogen-activated protein kinase 1
- Mitogen-activated protein kinase kinase kinase 8
- Serine/threonine-protein kinase B-raf
| |
BDBM120095
 | 0 | 15 | 2 | 0 | 0 | 0 | 0 | 0 | - Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
- MAP kinase ERK1
- Mitogen-activated protein kinase 1
- Mitogen-activated protein kinase 3
- Mitogen-activated protein kinase; ERK1/ERK2
| - US10525036, Example GDC-0994
- US8697715, 39
- US9259470, 39
|
BDBM13775
 | 3 | 9 | 3 | 2 | 0 | 0 | 0 | 0 | - Androgen receptor
- Bile salt export pump
- Corticosteroid-binding globulin
- Cytochrome P450 2J2
- Cytochrome P450 3A
- Glucocorticoid
- Glucocorticoid receptor
- Mineralocorticoid receptor
- Organic anion-transporting polypeptide 1D1 (Oatp1d1)
- P-glycoprotein (P-gp)
- P-glycoprotein 1
- P-glycoprotein 1 and 3 (MDR1a/MDR1b)
- Rho GTPase-activating protein 35
- Testis-specific androgen-binding protein
| - (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
- 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione
- 3H-cortisol
- HYDROCORTISONE
- US10188667, Example 00023
- [3H]cortisol
- cortisol
|
BDBM144227
 | 7 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- Cytochrome P450 1A
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 2D6
- Cytochrome P450 3A
- GABA A receptor alpha-2/beta-2/gamma-2
- GABA receptor alpha-1/beta-3/gamma-2 subunit
- GABA receptor alpha-3/beta-3/gamma-2 subunit
- GABA receptor alpha-5/beta-3/gamma-2 subunit
- Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2
- Neurokinin 2 receptor
- Sodium channel protein type 5 subunit alpha
| |
BDBM14949
 | 0 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - Angiopoietin-1 receptor
- Lck
- Mitogen-activated protein kinase 14
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Vascular endothelial growth factor receptor 2
| - 2-aminoquinazoline 5
- 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
- CHEMBL385937
- JMC511681 Compound 34
|
BDBM164713
 | 0 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - Tyrosine-protein kinase BTK
| - US10604504, Example 95
- US9688629, 153
- US9688629, 154
- US9802915, Example 199
- US9920031, Example 199
|
BDBM16596
 | 0 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - Collagenase 3
- Cytochrome P450 1A
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
| - 4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
- CHEMBL514794
- MMP Inhibitor, 4
- N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide
- Pyrimidine Dicarboxamide Inhibitor, 4
|
BDBM17015
 | 0 | 15 | 2 | 0 | 0 | 0 | 0 | 0 | - 3-phosphoinositide dependent protein kinase-1
- 6His.FMS.538-922(FGFR)
- ALK tyrosine kinase receptor
- Epidermal growth factor receptor
- Insulin-like growth factor I receptor
- Macrophage colony-stimulating factor 1 receptor (aa 538-972)
- Platelet-derived growth factor receptor beta
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Receptor tyrosine-protein kinase erbB-2
- Serine/threonine-protein kinase 17B (STK17B)
- Serine/threonine-protein kinase SRPK1
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase receptor FLT3
- Vascular endothelial growth factor receptor 1
- Vascular endothelial growth factor receptor 2
- cFMS -Tie-2 Chimera
| - (3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
- CHEMBL86755
- Indolinone based inhibitor, 1
- Oxindole I
|
BDBM17665
 | 0 | 2 | 0 | 15 | 0 | 0 | 0 | 0 | - HIV-1 Reverse Transcriptase
- Human immunodeficiency virus type 1 reverse transcriptase
| - 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methyl-1H-1,3-benzodiazole
- CHEMBL293961
- benzimidazole analogue, 1
|
BDBM179873
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table B.17
- US10287250, Compound B.1
- US10736890, Compound TABLE B.17
- US10752592, Compound TABLE B.1
- US9133125, Table B, Compound 1
- US9656961, Example 00134
|
BDBM179876
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table B.22
- US10287250, Compound B.4
- US10736890, Compound TABLE B.22
- US10752592, Compound TABLE B.4
- US9133125, Table B, Compound 4
- US9656961, Example 00139
|
BDBM179878
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table B.24
- US10287250, Compound B.6
- US10736890, Compound TABLE B.24
- US10752592, Compound TABLE B.6
- US9133125, Table B, Compound 6
- US9656961, Example 00141
|
BDBM179879
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table B.25
- US10287250, Compound B.7
- US10736890, Compound TABLE B.25
- US10752592, Compound TABLE B.7
- US9133125, Table B, Compound 7
- US9656961, Example 00142
|
BDBM179880
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table B.26
- US10287250, Compound B.8
- US10736890, Compound TABLE B.26
- US10752592, Compound TABLE B.8
- US9133125, Table B, Compound 8
- US9656961, Example 00143
|
BDBM179881
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table B.27
- US10287250, Compound B.9
- US10736890, Compound TABLE B.27
- US10752592, Compound TABLE B.9
- US9133125, Table B, Compound 9
- US9656961, Example 00144
|
BDBM179901
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table C.5
- US10287250, Compound 14
- US10736890, Compound TABLE C.5
- US10752592, Compound TABLE D.5
- US9133125, Table D, Compound 14
- US9656961, Example 00169
|
BDBM179902
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table C.6
- US10287250, Compound D.6
- US10736890, Compound TABLE C.6
- US10752592, Compound TABLE D.6
- US9133125, Table D, Compound 6
- US9656961, Example 00170
|
BDBM179903
 | 6 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | | - US10231963, Table C.7
- US10287250, Compound D.7
- US10736890, Compound TABLE C.7
- US10752592, Compound TABLE D.7
- US9133125, Table D, Compound 7
- US9656961, Example 00171
|
BDBM18125
 | 5 | 8 | 1 | 3 | 0 | 0 | 0 | 0 | - Excitatory amino acid transporter 1
- Excitatory amino acid transporter 2
- Excitatory amino acid transporter 3
- Excitatory amino acid transporter 4
- GRIA3
- Glutamate receptor ionotropic, NMDA 1
- Glutamate transporter homolog
- Glycosylasparaginase (GA)
- Metabotropic glutamate receptor 1
- Metabotropic glutamate receptor 2
- Metabotropic glutamate receptor 6
| - (2S)-2-aminobutanedioic acid
- Aspartate
- CHEMBL274323
- L-Aspartate
- L-Aspartic acid, 2
- L-[14C]aspartate
|
BDBM18786
 | 10 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | - Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
| - 5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
- CHEMBL21921
- P31
|
BDBM18787
 | 10 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | - Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
| - 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
- CHEMBL22403
- P40
|
BDBM18790
 | 10 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | - Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
- Dihydrofolate reductase
| - 6-hexyl-5-phenylpyrimidine-2,4-diamine
- CHEMBL416552
- P39
|
BDBM193124
 | 0 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - 3',5'-cyclic phosphodiesterase
- Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
- Cytochrome P450 1A
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6
- Cytochrome P450 3A
- Homo sapiens phosphodiesterase 2A (PDE2A)
- Phosphodiesterase 10A (PDE10A2)
- Phosphodiesterase 3 and 5 (PDE3 and PDE5)
- Phosphodiesterase Type 10 (PDE10A)
| |
BDBM195612
 | 0 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - Histone Lysine Demethylase
- Lysine-specific demethylase 3A
- Lysine-specific demethylase 4A (KDM4A)
- Lysine-specific demethylase 4C
- Lysine-specific demethylase 4D
- Lysine-specific demethylase 5A (KDM5A)
- Lysine-specific demethylase 5B
- Lysine-specific demethylase 5C
- Lysine-specific demethylase 5C (KDM5C)
- Lysine-specific demethylase 5D (KDM5D)
- Lysine-specific demethylase 6B
- Prolyl hydroxylase EGLN3
| |
BDBM198203
 | 0 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - Non-receptor tyrosine-protein kinase TYK2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US9216999, 11
- US9556187, Example 13
|
BDBM19854
 | 2 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | - Cathepsin B
- Cathepsin K
- Cathepsin S
- Procathepsin L
| - CHEMBL426819
- CRA-013783/L-006235
- N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
- basic piperazine-containing compound, 1
|
BDBM20079
 | 4 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | - Thymidine Phosphorylase (TP)
- Thymidine phosphorylase
| - 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
- 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dione
- CHEMBL65375
- Lonsurf
- TPI
- Tipiracil
|
BDBM202656
 | 0 | 16 | 0 | 1 | 0 | 0 | 0 | 0 | - B-RAF V600E
- C-RAF
- C-Raf TR (aa 1-324)
- RAF proto-oncogene serine/threonine-protein kinase
- RAF proto-oncogene serine/threonine-protein kinase (aa 1-324)
- RAF proto-oncogene serine/threonine-protein kinase (truncated)(325-648)
- Serine/threonine-protein kinase B-raf
| - US10245267, Example 1
- US10709712, Example 1
- US9242969, 1
- US9694016, 1
|
BDBM202780
 | 0 | 16 | 0 | 1 | 0 | 0 | 0 | 0 | - B-RAF V600E
- C-RAF
- RAF proto-oncogene serine/threonine-protein kinase
- Serine/threonine-protein kinase B-raf
| - US10245267, Example 127
- US10709712, Example 127
- US9242969, 127
- US9694016, 127
|
BDBM20315
 | 10 | 5 | 0 | 2 | 0 | 0 | 0 | 0 | | - 3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfonamidophenyl)methyl]thiourea
- CHEMBL228451
- KJM429
- thiourea analogue, 1
|
BDBM207991
 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Acyl-protein thioesterase 1
- Acyl-protein thioesterase 1 (APT1 I75L)
- Acyl-protein thioesterase 1 (APT1 I75L/S82A)
- Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P)
- Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P/R149H/A150R/S151A)
- Acyl-protein thioesterase 1 (APT1 L176M)
- Acyl-protein thioesterase 1 (APT1 Q83P)
- Acyl-protein thioesterase 2
- Acyl-protein thioesterase 2 (APT2 H152R)
- Acyl-protein thioesterase 2 (APT2 L78I)
- Acyl-protein thioesterase 2 (APT2 L78I/A85S)
- Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q)
- Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q/H152R/R153A/A154S)
- Acyl-protein thioesterase 2 (APT2 M178L)
- Acyl-protein thioesterase 2 (APT2 P86Q)
| |
BDBM21358
 | 8 | 6 | 0 | 3 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 6
- 5-hydroxytryptamine receptor 7
- Cytochrome P450 1A
- Cytochrome P450 2A6
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
| - 2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulfonyl)-1H-indol-3-yl]ethan-1-amine
- N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine
- SAX-187
- WAY-181187
|
BDBM21400
 | 8 | 0 | 5 | 4 | 0 | 0 | 0 | 0 | - Apoptosis regulator Bcl-2
- BCL-W
- Bcl-2-like protein 1
- Bcl-2-related protein A1
- Induced myeloid leukemia cell differentiation protein Mcl-1
- Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
- Serum albumin
| - CHEMBL192571
- N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
- Phenylpiperidine, 1a
|
BDBM21680
 | 1 | 5 | 1 | 10 | 0 | 0 | 0 | 0 | - Bile acid receptor
- Bile acid receptor FXR
- G-protein coupled bile acid receptor 1
- Organic anion-transporting polypeptide 1D1 (Oatp1d1)
- Phospholipase A2
- Ubiquitin-specific peptidase 2a (USP2a)
- Vitamin D3 receptor
| - (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
- (R)-4-((3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
- CGG
- CHEMBL205596
- CHOLBAM
- Cholate
- Cholic Acid
- cholicacid
|
BDBM22041
 | 8 | 8 | 1 | 0 | 0 | 0 | 0 | 0 | - Bile salt export pump
- Bile salt export pump (BSEP)
- Gamma-aminobutyric acid type B receptor subunit 1
- Peripheral-Type Benzodiazepine Receptor
- Serum albumin
- Translocator protein
| - 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
- Alpidem
- Ananxyl
- CHEMBL54349
- S-800342
|
BDBM22111
 | 13 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | - Adenosine Receptors A2a (A2a)
- Adenosine receptor A1
- Adenosine receptor A2b
- Adenosine receptor A3
- Catechol O-methyltransferase (MB-COMT)
- Fatty acid synthase
- Indolethylamine N-methyltransferase
- Spermidine synthase
| - (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol
- (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
- 5'-Methylthioado
- 5-methylthioadenosine
- CHEMBL277041
- MTA
|
BDBM22113
 | 9 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | - 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
- Methylthioadenosine Nucleosidase (MTAN)
- Methylthioadenosine Nucleosidase(MTAN)
- Methylthioadenosine Phosphorylase (MTAP)
| - (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
- (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
- (3R,4S)-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-methylthiomethylpyrrolidine, 7
- DADMe-ImmA-Me
- MT-DADMe-ImmA
|
BDBM22884
 | 15 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | - HRH3
- Histamine H1 receptor
- Histamine H2 receptor
- Histamine H3 receptor
- Histamine H4 receptor
| - 2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
- 2-[3-(1H-imidazol-5-yl)propyl]-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
- IMPROMIDINE
- Impromidine
|
BDBM22890
 | 9 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | - Angiopoietin-1 receptor
- Histamine H1 receptor
- Histamine H4 receptor
- Multidrug and toxin extrusion protein 1
- Potassium voltage-gated channel subfamily H member 2
| - 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
- CHEMBL1000
- Cetirizine
- Levocetirizine
|
BDBM23772
 | 6 | 10 | 0 | 1 | 0 | 0 | 0 | 0 | - Kinesin Spindle Protein Eg5
- Kinesin-5 motor protein (KSP)
- Kinesin-like protein 1
| - (2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid
- 3-Tritylthio-L-alanine
- CHEMBL392695
- NSC 83265
- S-Trityl-L-Cysteine (STLC), 1
- STLC
- Tritylcysteine
|
BDBM23928
 | 3 | 12 | 0 | 2 | 0 | 0 | 0 | 0 | - 5-lipoxygenase/FLAP
- Aryl Hydrocarbon Receptor (AhR)
- Aryl hydrocarbon receptor
- Bcr-Abl
- Cyclooxygenase
- Cytochrome P450 1A
- Cytochrome P450 1A1
- Cytochrome P450 1B1
- Estrogen receptor
- P-glycoprotein 1
- Prostaglandin G/H synthase (cyclooxygenase)
- Protein kinase C alpha type
- Ribosyldihydronicotinamide dehydrogenase [quinone]
- Transient receptor potential cation channel subfamily A member 1
- Transient receptor potential cation channel subfamily V member 1
| - 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
- CHEMBL296411
- trans-Stilbene Derivative, 4a
|
BDBM246867
 | 0 | 17 | 0 | 0 | 0 | 0 |
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