cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2z89b69
title: BindingDB Entry 7460: Bicarbocyclic and tricarbocyclic ethynyl derivatives and uses of same

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.1285/i25327518v4i1p15
title: Monitoring Water Quality Using Plankton as Biosensor

description: In this paper we establish a baseline to use Stentor coeruleus, a freshwater single cell ciliate, as a chemical biosensor. We expose Stentor to an array of chemical species and concentration and monitored morphological and dynamic responses. We developed a computer vision pipeline to predict chemical exposure at sub-lethal doses. We present analysis for butylparaben, a common antimicrobial preservative used in cosmetics and food flavoring. Our preliminary results show high sensitivity of Stentor to sublethal chemical concentrations, amenable for use as an environmental biosensor when combined with the computer vision pipeline.
DOI: 10.7270/q2086426
title: BindingDB Entry 6855: Inhibitor recognition specificity of MERS-CoV papain-like protease may differ from that of SARS-CoV.

description: Small molecule binding data for protein Dihydroorotase (PyrC), MERS-CoV papain-like protease (MERS-PLpro), NS3 serine protease (NS3), and SARS Coronavirus Coronavirus Papain-Like Protease, Uniprot K4LC41, P26662, and Q81WF0
DOI: 10.7270/q20p0xwb
title: BindingDB Entry 8142: Design, synthesis, and biological activity of thiazole derivatives as novel influenza neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase (NA), Uniprot Q67344
DOI: 10.7270/q2222skt
title: BindingDB Entry 7467: Pyrazole aminopyrimidine derivatives as LRRK2 modulators

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot Q5S007
DOI: 10.7270/q2319tm9
title: BindingDB Entry 6862: Substituted naphthylacetic acids

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q23f4nh4
title: BindingDB Entry 8149: Non-annulated thiophenylamides

description: Small molecule binding data for protein Fatty acid-binding protein 4 (FABP4) and Fatty acid-binding protein 5 (FABP5), Uniprot P15090 and Q01469
DOI: 10.7270/q24t6h5v
title: BindingDB Entry 7474: 4-Fluoro-Thio-containing inhibitors of APP2, compositions thereof and method of use

description: Small molecule binding data for protein Angiotensin-converting enzyme and Membrane-bound aminopeptidase P (APP2), Uniprot O43895 and P12821
DOI: 10.7270/q25q4twh
title: BindingDB Entry 7466: Ethynyl compounds

description: Small molecule binding data for protein Metabotropic glutamate receptor 5a (mGluR5)
DOI: 10.7270/q26t0kcq
title: BindingDB Entry 6861: Phenoxyethoxy compounds

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), and Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P34995, P35408, P43115, and P43116
DOI: 10.7270/q2765d7v
title: BindingDB Entry 8148: Cyclic amine substituted heterocyclic CETP inhibitors

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q29g5kks
title: BindingDB Entry 7465: Dihydroxy aromatic heterocyclic compound

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO), Uniprot P14920
DOI: 10.7270/q2bk1b3f
title: BindingDB Entry 6860: Proline sulfonamide derivatives as orexin receptor antagonists

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2bz64zv
title: BindingDB Entry 8147: Indole-1-carboxamides as kinase inhibitors

description: Small molecule binding data for protein Platelet-derived growth factor subunit B (PDGFB) and Vascular endothelial growth factor receptor 2, Uniprot P01127 and P35968
DOI: 10.7270/q2d79971
title: BindingDB Entry 7472: Bicyclic carboxamide inhibitors of kinases

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73
DOI: 10.7270/q2f76bbz
title: BindingDB Entry 7464: Urea derivatives and uses thereof

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2gb22s9
title: BindingDB Entry 6859: Heterocyclic compounds as ERK inhibitors

description: Small molecule binding data for protein Extracellular signal-regulated kinase 1 (ERK1) and Mitogen-activated protein kinase 1, Uniprot P63085 and Q63844
DOI: 10.7270/q2gq6wp6
title: BindingDB Entry 8146: Compositions and methods for the treatment of malaria

description: Small molecule binding data for protein Beta-secretase 1, Cathepsin D, Cathepsin E, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Plasmepsin 2, and Plasmepsin 4 (PM-IV), Uniprot P05177, P07339, P08684, P10635, P14091, P33261, P46925, P56817, and Q17SB2
DOI: 10.7270/q2j101zw
title: BindingDB Entry 7471: Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460
DOI: 10.7270/q2m0445m
title: BindingDB Entry 6858: Inhibition of AMP deaminase activity does not improve glucose control in rodent models of insulin resistance or diabetes.

description: Small molecule binding data for protein AMP deaminase 1 (hAMPD1), AMP deaminase 1 (mAMPD1), AMP deaminase 1 (rAMPD1), AMP deaminase 2, AMP deaminase 2 (rAMPD2), AMP deaminase 3 (hAMPD3), and AMP deaminase 3 (rAMPD3), Uniprot O09178, P10759, P23109, Q01432, Q01433, Q02356, and Q3V1D3
DOI: 10.7270/q2mg7ndx
title: BindingDB Entry 8145: 2-amino 3,5,5-trifluoro-3,4,5,6-tetrahydropyridines as BACE1 inhibitors for treatment of Alzheimer's disease

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2ns0spx
title: BindingDB Entry 7470: Bicyclic pyrazole LRRK2 small molecule inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot Q5S007
DOI: 10.7270/q2q81bzz
title: BindingDB Entry 8152: Acetamide derivatives

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q2qr4vvs
title: BindingDB Entry 6857: Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.

description: Small molecule binding data for protein 20S proteasome, Uniprot P23639
DOI: 10.7270/q2r78d36
title: BindingDB Entry 8144: Oxamic acid analogues as LDH-C4-specific competitive inhibitors.

description: Small molecule binding data for protein L-lactate:NAD+ oxidoreductase A (LDH-A4), L-lactate:NAD+ oxidoreductase B (LDH-B4), and L-lactate:NAD+ oxidoreductase C (LDH-C4), Uniprot P00342, P06151, and P16125
DOI: 10.7270/q2sj1jdn
title: BindingDB Entry 7469: 6-thio-substituted imidazo[1,2-a]pyrazines as Mps-1 inhibitors

description: Small molecule binding data for protein Dual specificity protein kinase TTK, Uniprot P33981
DOI: 10.7270/q2v123n7
title: BindingDB Entry 8151: Methods and compositions for kinase inhibition

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Leucine-rich repeat serine/threonine-protein kinase 2 G2019S, Proto-oncogene tyrosine-protein kinase Src (T338C), Proto-oncogene tyrosine-protein kinase Src (T338C/V323A), Proto-oncogene tyrosine-protein kinase Src (T338C/V323S), and Proto-oncogene tyrosine-protein kinase Src (c-Src), Uniprot Q5S007
DOI: 10.7270/q2vh5mkh
title: BindingDB Entry 6856: Type II Inhibitors Targeting CDK2.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Cyclin-dependent protein kinase 2 (CDK2 A144G), Cyclin-dependent protein kinase 2 (CDK2 C118I), Cyclin-dependent protein kinase 2 (CDK2 F80M), Cyclin-dependent protein kinase 2 (CDK2 F80T), Cyclin-dependent protein kinase 2 variant (CDK2 A144C), Cyclin-dependent protein kinase 2 variant (CDK2 C118L), and Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C), Uniprot P24941
DOI: 10.7270/q2vx0fdf
title: BindingDB Entry 8143: Apixaban inhibition of factor Xa: Microscopic rate constants and inhibition mechanism in purified protein systems and in human plasma.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2x9294c
title: BindingDB Entry 7468: Substituted pyrimidine compounds and their use as SYK inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase SYK, Uniprot P43405
DOI: 10.7270/q2125rgw
title: BindingDB Entry 7475: Carbamate/urea derivatives containing piperidin and piperazin rings as H3 receptor inhibitors

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1
DOI: 10.7270/q2222shx
title: BindingDB Entry 6870: Substituted benzene compounds

description: Small molecule binding data for protein Cytochrome P450 1A1, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P04798, P10632, P10635, P11712, and P33261
DOI: 10.7270/q22f7mb9
title: BindingDB Entry 8157: Cyclopropyl imidazopyridine PDE10 inhibitors

description: Small molecule binding data for protein Phosphodiesterase 10A (PDE10A2)
DOI: 10.7270/q25t3j7b
title: BindingDB Entry 6869: Pyrimidone derivatives

description: Small molecule binding data for protein Tau protein kinase 1 (TPK1), Uniprot A0A059UE90
DOI: 10.7270/q2668c21
title: BindingDB Entry 8156: Thiazole derivatives as inhibitors of Bruton's tyrosine kinase

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q28g8jjr
title: BindingDB Entry 7473: Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 6 (mGlu6), Metabotropic glutamate receptor 7 (mGlu7), and Metabotropic glutamate receptor 8 (mGlu8), Uniprot P31423, P35349, P35400, and P70579
DOI: 10.7270/q29k490h
title: BindingDB Entry 6868: Thiophene derivative as SGLT2 inhibitor and pharmaceutical composition comprising same

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q29z93s1
title: BindingDB Entry 8155: Aldehyde derivative of substitute oxazolidinones

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2J2, and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P33261, and P51589
DOI: 10.7270/q2c8284n
title: BindingDB Entry 7480: Investigating the Reaction Mechanism of F420-Dependent Glucose-6-phosphate Dehydrogenase from Mycobacterium tuberculosis: Kinetic Analysis of the Wild-Type and Mutant Enzymes.

description: Small molecule binding data for protein F420-dependent glucose-6-phosphate dehydrogenase (FGD), F420-dependent glucose-6-phosphate dehydrogenase mutant (FGD E109Q), F420-dependent glucose-6-phosphate dehydrogenase mutant (FGD H40A), F420-dependent glucose-6-phosphate dehydrogenase mutant (FGD W44A), F420-dependent glucose-6-phosphate dehydrogenase mutant (FGD W44F), and F420-dependent glucose-6-phosphate dehydrogenase mutant (FGD W44Y)
DOI: 10.7270/q2fb51qt
title: BindingDB Entry 6867: Cycloalkyl ether compounds and their use as BACE inhibitors

description: Small molecule binding data for protein Beta amyloid A4 protein and Beta-secretase 1, Uniprot P05067 and P56817
DOI: 10.7270/q2fq9vhc
title: BindingDB Entry 8154: Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q2jh3k2t
title: BindingDB Entry 8161: Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors

description: Small molecule binding data for protein Tumor necrosis factor (TNF-alpha), phosphodiesterase 4B2, and phosphodiesterase 4D, Uniprot P01375
DOI: 10.7270/q2k35sdq
title: BindingDB Entry 6866: Cyclohexane-1,2′-naphthalene-1′,2″-imidazol compounds and their use as BACE inhibitors

description: Small molecule binding data for protein Beta amyloid A4 protein and Beta-secretase 1, Uniprot P05067 and P56817
DOI: 10.7270/q2kh0m7n
title: BindingDB Entry 8153: Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents

description: Small molecule binding data for protein RAF serine/threonine protein kinase and Vascular endothelial growth factor receptor 2 (VEGFR2), Uniprot P15056
DOI: 10.7270/q2ms3rjj
title: BindingDB Entry 7478: FABP1: A Novel Hepatic Endocannabinoid and Cannabinoid Binding Protein.

description: Small molecule binding data for protein Liver fatty acid binding protein (FABP1), Uniprot P12710
DOI: 10.7270/q2pr7tqd
title: BindingDB Entry 6865: Cyclohexane-1,2′-indene-1′,2″-imidazol compounds and their use as BACE inhibitors

description: Small molecule binding data for protein Beta amyloid A4 protein and Beta-secretase 1, Uniprot P05067 and P56817
DOI: 10.7270/q2rj4h88
title: BindingDB Entry 7477: Cellularly active N-hydroxyurea FEN1 inhibitors block substrate entry to the active site.

description: Small molecule binding data for protein Flap endonuclease 1 (hFEN1-336Δ)
DOI: 10.7270/q2th8kdp
title: BindingDB Entry 6864: 2H-imidazol-4-amine compounds and their use as BACE inhibitors

description: Small molecule binding data for protein Beta amyloid A4 protein and Beta-secretase 1, Uniprot P05067 and P56817
DOI: 10.7270/q2w95800
title: BindingDB Entry 7476: Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.

description: Small molecule binding data for protein Lactate dehydrogenase A (LDHA) and Lactate dehydrogenase B (LDHB), Uniprot P00338 and P07195
DOI: 10.7270/q2xs5t8b
title: BindingDB Entry 8158: Dihydropyridinone MGAT2 inhibitors

description: Small molecule binding data for protein Monoacylglycerol acyltransferase type 2 (h-MGAT2), Uniprot Q10469
DOI: 10.7270/q2z89b4d
title: BindingDB Entry 6863: Imidazo[4,5-c]quinolines as DNA-PK inhibitors

description: Small molecule binding data for protein DNA-dependent protein kinase, Uniprot P78527
DOI: 10.7270/q2zp4517
title: BindingDB Entry 8150: Substituted pyridizinone derivatives as PDE10 inhibitors

description: Small molecule binding data for protein Phosphodiesterase 10A (PDE10A2)
DOI: 10.7270/q2028qbh
title: BindingDB Entry 7485: Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.

description: Small molecule binding data for protein Nitric Oxide Synthase and Nitric Oxide Synthase I218V
DOI: 10.7270/q2125rcj
title: BindingDB Entry 6878: Dihydroorotate dehydrogenase inhibitors

description: Small molecule binding data for protein Dihydroorotate dehydrogenase, Uniprot Q02127
DOI: 10.7270/q21j98np
title: BindingDB Entry 8165: Synthesis and biological evaluation of 2,5-disubstituted 1,3,4-oxadiazole derivatives with both COX and LOX inhibitory activity.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q23t9g1g
title: BindingDB Entry 7484: Overview of the SAMPL5 host-guest challenge: Are we doing better?

description: Host-guest binding data for host BDBM197287, BDBM197309, and BDBM197310
DOI: 10.7270/q24t6h3z
title: BindingDB Entry 6877: Methods of modifying amyloid β oligomers using non-peptidic compounds

description: Small molecule binding data for protein Beta-amyloid protein 42, Uniprot P08592
DOI: 10.7270/q25719xs
title: BindingDB Entry 8164: Steroidal 5α-reductase inhibitors using 4-androstenedione as substrate.

description: Small molecule binding data for protein 5-alpha-Reductase (5α-Reductase)
DOI: 10.7270/q27m06qw
title: BindingDB Entry 7481: Tyrosine kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q28k77t8
title: BindingDB Entry 6876: Rosuvastatin and atorvastatin derivatives

description: Small molecule binding data for protein HMG-CoA reductase, Uniprot P51639
DOI: 10.7270/q29022nh
title: BindingDB Entry 8163: Synthesis and biological evaluation of novel N,N'-bis-methylenedioxybenzyl-alkylenediamines as bivalent anti-Alzheimer disease ligands.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2db80kf
title: BindingDB Entry 6875: Azetidine derivatives

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and P97612
DOI: 10.7270/q2dr2tcj
title: BindingDB Entry 8162: Design, synthesis and SAR study of hydroxychalcone inhibitors of human β-secretase (BACE1).

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2g44p3g
title: BindingDB Entry 7489: Tricyclic heterocyclic compounds

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2h130th
title: BindingDB Entry 7479: A Rapid and Efficient Assay for the Characterization of Substrates and Inhibitors of Nicotinamide N-Methyltransferase.

description: Small molecule binding data for protein Nicotinamide N-methyltransferase (NNMT), Uniprot P40261 and Q6FH49
DOI: 10.7270/q2j38r9s
title: BindingDB Entry 6874: Prolylcarboxypeptidase inhibitors

description: Small molecule binding data for protein Prolylcarboxypeptidase (PRCP), Uniprot A0A024R5L0 and P42785
DOI: 10.7270/q2ks6qcq
title: BindingDB Entry 7488: Heterocyclic derivative and pharmaceutical drug

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q2n878p6
title: BindingDB Entry 8168: Evaluation of in vitro effects of some analgesic drugs on erythrocyte and recombinant carbonic anhydrase I and II.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2nv9h0r
title: BindingDB Entry 6873: Substituted aminobutyric derivatives as neprilysin inhibitors

description: Small molecule binding data for protein Neprilysin, Uniprot P08473
DOI: 10.7270/q2p849s4
title: BindingDB Entry 8160: Substituted aminoquinazolines useful as kinases inhibitors

description: Small molecule binding data for protein Epidermal growth factor receptor (T790M) and Epidermal growth factor receptor(L858R, T790M)
DOI: 10.7270/q2qj7g3f
title: BindingDB Entry 7487: Thiazole compounds, methods for preparation and use thereof

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, and Q9UBN7
DOI: 10.7270/q2s181dx
title: BindingDB Entry 8167: Acetaldehyde-derived modifications on cytosolic human carbonic anhydrases.

description: Small molecule binding data for protein CA XIII + BH, Carbonic Anhydrase III, Carbonic anhydrase, Carbonic anhydrase 13 (CA XIII), and Carbonic anhydrase 7, Uniprot P00915, P07451, P43166, and Q8N1Q1
DOI: 10.7270/q2sj1jbr
title: BindingDB Entry 6872: Tetrahydrocarboline derivative

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q2t152j9
title: BindingDB Entry 8159: Quinazoline derivatives as kinases inhibitors and methods of use thereof

description: Small molecule binding data for protein EGF-R Tyrosine Kinase and Epidermal growth factor receptor (EGFR)(T790M/L858R)
DOI: 10.7270/q2v986v6
title: BindingDB Entry 7486: Structural insights into HDAC6 tubulin deacetylation and its selective inhibition.

description: Small molecule binding data for protein HDAC6 (CD1-CD2), Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2w957xp
title: BindingDB Entry 6879: Dimethylarginine dimethylaminohydrolase inhibitors and methods of use thereof

description: Small molecule binding data for protein Dimethylarginine dimethylaminohydrolase 1 (DDAH), Uniprot O94760
DOI: 10.7270/q2ws8s5d
title: BindingDB Entry 8166: Synthesis and biological evaluation of fused oxepinocoumarins as free radicals scavengers.

description: Small molecule binding data for protein Lipoxygenase-1, Uniprot P08170
DOI: 10.7270/q2x92911
title: BindingDB Entry 6871: Liver X receptor modulators

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2028q8m
title: BindingDB Entry 6886: Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q20k27gd
title: BindingDB Entry 8173: In vitro effects of some drugs on human erythrocyte glutathione reductase.

description: Small molecule binding data for protein Glutathione reductase (GR), Uniprot P00390
DOI: 10.7270/q22v2dz4
title: BindingDB Entry 7492: 3-aryl-2-((arylamino)methyl)quinazolin-4-(3H)-ones

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q23t9fxq
title: BindingDB Entry 6885: Bicyclic heterocycle compounds and their uses in therapy

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2 and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170 and Q13490
DOI: 10.7270/q24b3064
title: BindingDB Entry 8172: Designing modulators of dimethylarginine dimethylaminohydrolase (DDAH): a focus on selectivity over arginase.

description: Small molecule binding data for protein Dimethylarginine dimethylaminohydrolase 1 (DDAH), Uniprot O94760
DOI: 10.7270/q26m35pv
title: BindingDB Entry 7491: 3-[4-(7H-pyrrolo[2,3-D]pyrimidin-4-yl)-1H-pyrazol-1-yl]octane—or heptane-nitrile as JAK inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1 and Tyrosine-protein kinase JAK2
DOI: 10.7270/q2736psp
title: BindingDB Entry 8179: Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P21728, and P28223
DOI: 10.7270/q27m06n0
title: BindingDB Entry 6884: Alicyclic[c] benzopyrone derivatives and uses thereof

description: Small molecule binding data for protein Dopamine receptor and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08909 and P19020
DOI: 10.7270/q28051h4
title: BindingDB Entry 8171: In vitro effects of some anabolic compounds on erythrocyte carbonic anhydrase I and II.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2bc3xcr
title: BindingDB Entry 7490: Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against Raf kinase, containing same as active ingredient

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056