cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q29s1tn5
title: BindingDB Entry 50002601: Design and synthesis of 1,4-substituted 1H-1,2,3-triazolo-quinazolin-4(3H)-ones by Huisgen 1,3-dipolar cycloaddition with PI3Kγ isoform selective activity.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, and P48736
DOI: 10.7270/q26112zk
title: BindingDB Entry 50002602: Bicyclo((aryl)methyl)benzamides as inhibitors of GlyT1.

description: Small molecule binding data for protein Glycine transporter 1 and Glycine transporter 2, Uniprot P48067 and Q9Y345
DOI: 10.7270/q2280b78
title: BindingDB Entry 50002603: Novel polyamine-based Histone deacetylases-Lysine demethylase 1 dual binding inhibitors.

description: Small molecule binding data for protein HDAC1/REST corepressor 3, Lysine-specific histone demethylase 1A/REST corepressor, and REST corepressor 3, Uniprot O60341, Q13547, Q6IT96, and Q9P2K3
DOI: 10.7270/q2xg9tr1
title: BindingDB Entry 50002604: Discovery and optimization of tetrahydropyrido[4,3-d]pyrimidine derivatives as novel ATX and EGFR dual inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P00533 and P35968
DOI: 10.7270/q2sq930n
title: BindingDB Entry 50002605: Design, synthesis and biological evaluation of novel hydroxamic acid based histone deacetylase 6 selective inhibitors bearing phenylpyrazol scaffold as surface recognition motif.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2nz8b8x
title: BindingDB Entry 50002606: Structure optimization and preliminary bioactivity evaluation of N-hydroxybenzamide-based HDAC inhibitors with Y-shaped cap.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 11, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2j67kkz
title: BindingDB Entry 50002607: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase (flavin-containing) A, and Amine oxidase [flavin-containing] B, Uniprot O42275, P21397, P27338, and Q53YE7
DOI: 10.7270/q2dj5j7h
title: BindingDB Entry 50002608: Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.

description: Small molecule binding data for protein Coagulation factor IX, Coagulation factor XI, Plasma kallikrein, Plasminogen, Thrombin and coagulation factor VII, Thrombin and coagulation factor X, Tissue-type plasminogen activator, Trypsin, Urokinase-type plasminogen activator/surface receptor, and Vitamin K-dependent protein C, Uniprot A0A024QZM9, P00734, P00740, P00742, P00747, P00749, P00750, P03951, P03952, P04070, P07477, P07478, P08709, P35030, Q5JVE7, and Q5NV56
DOI: 10.7270/q28s4sj7
title: BindingDB Entry 50002609: Synthesis and evaluation of 4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran] analogues against both active and dormant Mycobacterium tuberculosis.

description: Small molecule binding data for protein Probable L-lysine-epsilon aminotransferase, Uniprot P9WQ77
DOI: 10.7270/q25141vn
title: BindingDB Entry 50002610: Adenosine analogs bearing phosphate isosteres as human MDO1 ligands.

description: Small molecule binding data for protein ADP-ribose glycohydrolase MACROD1 and ADP-ribose glycohydrolase MACROD2, Uniprot A1Z1Q3 and Q9BQ69
DOI: 10.7270/q218394b
title: BindingDB Entry 50002611: Cathepsin B inhibitors: Further exploration of the nitroxoline core.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin (H and K), and Cathepsin (L and K), Uniprot A0A024R276, A0A024R374, P07711, P07858, and P09668
DOI: 10.7270/q2wh2sm6
title: BindingDB Entry 50002612: Benzoxazin-4-ones as novel, easily accessible inhibitors for rhomboid proteases.

description: Small molecule binding data for protein Rhomboid protease GluP, Uniprot P54493
DOI: 10.7270/q2rr21wv
title: BindingDB Entry 50002613: Synthesis and biological evaluation of histone deacetylase and DNA topoisomerase II-Targeted inhibitors.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, DNA topoisomerase II, and Histone deacetylase, Uniprot P11388, Q13547, Q6IT96, and Q9Z2V5
DOI: 10.7270/q2n300k5
title: BindingDB Entry 50002614: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2.

description: Small molecule binding data for protein Nuclear receptor subfamily 1 group I member 2, Prostaglandin E synthase, and Prostaglandin E synthase/G/H synthase 2, Uniprot A0SYQ0, O14684, and O75469
DOI: 10.7270/q2h997vw
title: BindingDB Entry 50002616: Small molecule modulators of PCSK9 - A literature and patent overview.

description: Small molecule binding data for protein Subtilisin/kexin type 9, Uniprot Q8NBP7
DOI: 10.7270/q2cj8h51
title: BindingDB Entry 50002617: Synthesis and biological evaluation of benzocyclobutane-C-glycosides as potent and orally active SGLT1/SGLT2 dual inhibitors.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q27s7rf9
title: BindingDB Entry 50002619: A novel series of 4-methyl substituted pyrazole derivatives as potent glucagon receptor antagonists: Design, synthesis and evaluation of biological activities.

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q24170q8
title: BindingDB Entry 50002620: Design and synthesis of estrogen receptor ligands with a 4-heterocycle-4-phenylheptane skeleton.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Uniprot G4XH65 and P03372
DOI: 10.7270/q20867z3
title: BindingDB Entry 50002622: Studies on non-steroidal inhibitors of aromatase enzyme; 4-(aryl/heteroaryl)-2-(pyrimidin-2-yl)thiazole derivatives.

description: Small molecule binding data for protein Cytochrome P450 19A1, Uniprot A0A024R5S8 and P11511
DOI: 10.7270/q2vh5rh8
title: BindingDB Entry 50002623: Xanthone derivatives as phosphoglycerate mutase 1 inhibitors: Design, synthesis, and biological evaluation.

description: Small molecule binding data for protein Phosphoglycerate mutase 1, Uniprot P18669 and Q6FHU2
DOI: 10.7270/q2qv3q4c
title: BindingDB Entry 50002624: Indole acids as a novel PDE2 inhibitor chemotype that demonstrate pro-cognitive activity in multiple species.

description: Small molecule binding data for protein Homo sapiens phosphodiesterase 2A (PDE2A) and Prostanoid DP receptor, Uniprot O00408 and Q13258
DOI: 10.7270/q2m32zdz
title: BindingDB Entry 50002625: A novel templates of piperazinyl-1,2-dihydroquinoline-3-carboxylates: Synthesis, anti-microbial evaluation and molecular docking studies.

description: Small molecule binding data for protein Dehydrosqualene synthase, Uniprot A0A0Z4JC62 and A9JQL9
DOI: 10.7270/q2gb26q2
title: BindingDB Entry 50002626: Discovery of N-aryl-N'-pyrimidin-4-yl ureas as irreversible L858R/T790M mutant selective epidermal growth factor receptor inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2bk1g16
title: BindingDB Entry 50002627: First discovery of a potential carbonate prodrug of NNRTI drug candidate RDEA427 with submicromolar inhibitory activity against HIV-1 K103N/Y181C double mutant strain.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q26t0q9g
title: BindingDB Entry 50002628: Identification of an aminothiazole series of RORβ modulators.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, and Nuclear receptor ROR-gamma (RORC), Uniprot A0A1L4FMK7, P35398, P51449, Q6I9R9, and Q92753
DOI: 10.7270/q2319zhm
title: BindingDB Entry 50002629: Discovery of potent DOT1L inhibitors by AlphaLISA based High Throughput Screening assay.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase, H3 lysine-79 specific, Uniprot Q8TEK3
DOI: 10.7270/q2z89g25
title: BindingDB Entry 50002630: Novel 6-aryl substituted 4-pyrrolidineaminoquinazoline derivatives as potent phosphoinositide 3-kinase delta (PI3Kδ) inhibitors.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, and P48736
DOI: 10.7270/q2tm7drr
title: BindingDB Entry 50002631: Analyses of Synthetic N-Acyl Dopamine Derivatives Revealing Different Structural Requirements for Their Anti-inflammatory and Transient-Receptor-Potential-Channel-of-the-Vanilloid-Receptor-Subfamily-Subtype-1 (TRPV1)-Activating Properties.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2pv6p1f
title: BindingDB Entry 50002632: Synthesis and Pharmacological Evaluation of Heterocyclic Carboxamides: Positive Allosteric Modulators of the M

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and M3, Uniprot P11229 and Q53XZ3
DOI: 10.7270/q2k35x91
title: BindingDB Entry 50002633: Discovery of a highly potent orally bioavailable imidazo-[1, 2-a]pyrazine Aurora inhibitor.

description: Small molecule binding data for protein Aurora kinase A/Targeting protein for Xklp2, Aurora kinase B, Axin-1/Glycogen synthase kinase-3 beta, CDK2/Cyclin O, CaM kinase IV, Casein kinase I delta/epsilon, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Ephrin type-B receptor 4, Epidermal growth factor receptor, Hepatocyte growth factor receptor, Inhibitor of nuclear factor kappa-B kinase subunit beta, Insulin-like growth factor I receptor, Interleukin-1 receptor-associated kinase 4, Mitogen-activated protein kinase 1, PKC alpha and beta-2, RAC-alpha serine/threonine-protein kinase AKT1, Rho-associated protein kinase 2, Ribosomal protein S6 kinase, Ribosomal protein S6 kinase alpha-1/alpha-3, SRC, Serine/threonine-protein kinase Chk1/2, Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase NEK2, Serine/threonine-protein kinase PLK3, Testis-specific serine/threonine-protein kinase 2, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot A0A024R759, A0A024RB77, A0A0S2Z3Y8, A0A2P9DU05, A0A384MDW3, A0A384MR07, A0ZT99, B0LPE5, C1ID52, L7RSM7, O14757, O14920, O14965, O60674, O75116, O75582, O75676, P00533, P06239, P08069, P08581, P08684, P10635, P11712, P17252, P23443, P24941, P28482, P31749, P33261, P36888, P48730, P49841, P51812, P51955, P54760, Q13188, Q15349, Q15418, Q16566, Q1HBJ4, Q541P7, Q69FE3, Q6FI27, Q6GRK0, Q96GD4, Q96PF2, Q9H4B4, Q9NWZ3, Q9UBS0, Q9UK32, and S5RV20
DOI: 10.7270/q2fb55kp
title: BindingDB Entry 50002635: Design and synthesis of triple inhibitors of janus kinase (JAK), histone deacetylase (HDAC) and Heat Shock Protein 90 (HSP90).

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Heat Shock Protein 90 (Hsp90), Heat shock protein HSP 90-alpha, Histone deacetylase 6, and Tyrosine-protein kinase JAK2, Uniprot A0A024QZ26, A0A024RD80, K9JA46, O60674, P07900, P08238, Q13547, Q6IT96, and Q9UBN7
DOI: 10.7270/q29k4dvz
title: BindingDB Entry 50002636: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.

description: Small molecule binding data for protein DCN1-like protein 1, NEDD8-activating enzyme E1 catalytic subunit, and NEDD8-conjugating enzyme Ubc12, Uniprot A0A024R4T4, P61081, Q8TBC4, and Q96GG9
DOI: 10.7270/q25t3p36
title: BindingDB Entry 50002637: Identification of second-generation P2X3 antagonists for treatment of pain.

description: Small molecule binding data for protein Cytochrome P450 2C9, Nuclear receptor subfamily 1 group I member 2, P2X purinoceptor 3, and Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uniprot O75469, P11712, P22309, P56373, Q5DT03, and S5RV20
DOI: 10.7270/q2222xd7
title: BindingDB Entry 50002638: Structure-based drug design of 1,3,6-trisubstituted 1,4-diazepan-7-ones as selective human kallikrein 7 inhibitors.

description: Small molecule binding data for protein Kallikrein 5, Kallikrein 7, and Trypsin, Uniprot A0A024R4H6, P07477, P07478, P35030, P49862, Q5NV56, and Q9Y337
DOI: 10.7270/q2xd14bn
title: BindingDB Entry 50002639: Synthesis and activity of functionalizable derivatives of the serotonin (5-HT) 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Uniprot P28223
DOI: 10.7270/q2sn0cnc
title: BindingDB Entry 50002640: A genetically selected cyclic peptide inhibitor of BCL6 homodimerization.

description: Small molecule binding data for protein BCoR-BCL6, Uniprot P41182
DOI: 10.7270/q2nv9mx3
title: BindingDB Entry 50002641: The discovery of novel diarylpyri(mi)dine derivatives with high level activity against a wide variety of HIV-1 strains as well as against HIV-2.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q22n54xf
title: BindingDB Entry 50002487: Stabilized β-Hairpin Peptide Inhibits Insulin Degrading Enzyme.

description: Small molecule binding data for protein Insulin degrading enzyme (mIDE) and insulin-degrading enzyme isoform 1 precursor, Uniprot P14735 and Q9JHR7
DOI: 10.7270/q2t72m31
title: BindingDB Entry 50002489: First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 2 and Tyrosine kinase non-receptor protein 2, Uniprot A0A024R567, Q07912, and Q12851
DOI: 10.7270/q2j38w7j
title: BindingDB Entry 50002642: New phenylaniline derivatives as modulators of amyloid protein precursor metabolism.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q28k7cqk
title: BindingDB Entry 50002644: Design, synthesis and biological evaluation of novel 3-substituted pyrazolopyrimidine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2db84h6
title: BindingDB Entry 50002643: Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Axin-1/Glycogen synthase kinase-3 beta, CDK2/Cyclin O, Casein kinase II subunit alpha, Dual-specificity tyrosine-phosphorylation regulated kinase 3, Homeodomain-interacting protein kinase 2 (HIPK2), Insulin-like growth factor I receptor, PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Serine/threonine-protein kinase pim-1, Serine/threonine-protein kinase pim-2, and Serine/threonine-protein kinase pim-3, Uniprot A0A024QYW7, A0A024R720, A0A024RB77, A0A024RD25, A0A2K8FKV1, O00329, O43781, P08069, P11309, P24941, P42336, P42338, P48736, P49841, P68400, Q6FI27, Q86V86, Q9H2X6, Q9P1W9, and Q9UM73
DOI: 10.7270/q2154kp5
title: BindingDB Entry 50002646: Evaluation of analogues of furan-amidines as inhibitors of NQO2.

description: Small molecule binding data for protein Ribosyldihydronicotinamide dehydrogenase [quinone], Uniprot P16083
DOI: 10.7270/q24t6n1q
title: BindingDB Entry 50002645: Discovery of a novel allosteric inhibitor scaffold for polyadenosine-diphosphate-ribose polymerase 14 (PARP14) macrodomain 2.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 14, Uniprot Q460N5
DOI: 10.7270/q2wd437q
title: BindingDB Entry 50002647: Sulfoximines as potent RORγ inverse agonists.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-gamma (RORC), Oxysterols receptor LXR-beta, Peroxisome proliferator-activated receptor, Retinoic acid receptor RXR-alpha/gamma, and Vitamin D3 receptor, Uniprot A8K3H3, F1D8P8, P11473, P13631, P35398, P37231, P51449, P55055, and Q6I9R9
DOI: 10.7270/q2rn3bh0
title: BindingDB Entry 50002648: Synthesis and biological evaluation of pyrimidine derivatives as novel human Pin1 inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2h41v28
title: BindingDB Entry 50002651: Synthesis and evaluation of 2,9-disubstituted 8-phenylthio/phenylsulfinyl-9H-purine as new EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533 and P21860
DOI: 10.7270/q2mw2ks8
title: BindingDB Entry 50002649: 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 3A, and Lymphocyte differentiation antigen CD38, Uniprot P08684, P28907, P40989, and Q6GRK0
DOI: 10.7270/q23x8986
title: BindingDB Entry 50002654: DNA sequence-specific ligands. XVII. Synthesis, spectral properties, virological and biochemical studies of fluorescent dimeric bisbenzimidazoles DBA(n).

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q27m0bkr
title: BindingDB Entry 50002653: Design, synthesis, and biological evaluation of new B-Raf

description: Small molecule binding data for protein Serine/threonine-protein kinase B-raf, Uniprot P28028
DOI: 10.7270/q2cc139g
title: BindingDB Entry 50002652: Site-specific effect of polar functional group-modification in lipids of TLR2 ligands for modulating the ligand immunostimulatory activity.

description: Small molecule binding data for protein Toll-like receptor 2 and Toll-like receptor 2 (TLR2), Uniprot A0A0S2Z4S4, O60603, and Q9QUN7
DOI: 10.7270/q2057jk7
title: BindingDB Entry 50002655: Structure-activity relationships in a new class of non-substrate-like covalent inhibitors of the bacterial glycosyltransferase LgtC.

description: Small molecule binding data for protein LgtC, Uniprot Q93EK7
DOI: 10.7270/q2qn69d2
title: BindingDB Entry 50002657: Discovery of a quinoline-based phenyl sulfone derivative as an antitrypanosomal agent.

description: Small molecule binding data for protein Rhodesain, Uniprot Q95PM0
DOI: 10.7270/q2vd723b
title: BindingDB Entry 50002656: Designing novel inhibitors against falcipain-2 of Plasmodium falciparum.

description: Small molecule binding data for protein Falcipain 2 and Falcipain-2, Uniprot Q9N6S8 and Q9NAW2
DOI: 10.7270/q2bc4253
title: BindingDB Entry 50002664: Synthesis and evaluation of aminobenzothiazoles as blockers of N- and T-type calcium channels.

description: Small molecule binding data for protein Voltage-dependent N-type calcium channel subunit alpha-1B, Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3, and Voltage-dependent T-type calcium channel subunit alpha-1H, Uniprot O95180, Q00975, and Q02294
DOI: 10.7270/q2g44sw1
title: BindingDB Entry 50002663: Peptidomimetic nitrile inhibitors of malarial protease falcipain-2 with high selectivity against human cathepsins.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin (L and K), Cathepsin K, Cathepsin S, Cysteine protease falcipain-3, and Falcipain 2, Uniprot A0A024R276, A0A024R374, P07711, P07858, P25774, P43235, Q8IIL0, and Q9N6S8
DOI: 10.7270/q2kw5jnw
title: BindingDB Entry 50002660: Synthesis, biological evaluation and SAR of naftopidil-based arylpiperazine derivatives.

description: Small molecule binding data for protein Adrenergic receptor alpha, Alpha adrenergic receptor (1a and 1d), and Alpha-1A adrenergic receptor, Uniprot B0ZBE0, P25100, P35348, and P35368
DOI: 10.7270/q22z1868
title: BindingDB Entry 50002666: Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors.

description: Small molecule binding data for protein Beta-adrenergic receptor kinase 1, G protein-coupled receptor kinase 5, and Rhodopsin kinase, Uniprot A0A0S2Z392, P25098, P34947, and Q15835
DOI: 10.7270/q26q20w4
title: BindingDB Entry 50002665: Structure-based design and discovery of potent and selective KDM5 inhibitors.

description: Small molecule binding data for protein Histone Lysine Demethylase, Homo sapiens lysine demethylase 2A (KDM2A), Lysine-specific demethylase 2B, Lysine-specific demethylase 3A, Lysine-specific demethylase 4A, Lysine-specific demethylase 4B, Lysine-specific demethylase 4C, Lysine-specific demethylase 4D, Lysine-specific demethylase 5A/5B, Lysine-specific demethylase 5B, Lysine-specific demethylase 6B, and Lysine-specific histone demethylase 1A, Uniprot B2RXH2, I3VM53, O15054, O60341, O75164, O94953, P29375, Q6B0I6, Q8NHM5, Q9H3R0, Q9UGL1, Q9Y2K7, and Q9Y4C1
DOI: 10.7270/q2z60rqw
title: BindingDB Entry 50002667: Novel thioureido-benzenesulfonamide derivatives with enaminone linker as potent anticancer, radiosensitizers and VEGFR2 inhibitors.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P35968
DOI: 10.7270/q2pn988p
title: BindingDB Entry 50002669: Discovery and biological evaluation of novel pyrazolopyridine derivatives as potent and orally available PI3Kδ inhibitors.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphoinositide 3-Kinase (PI3K), delta, p110α/p85α, and p110β/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q2tf010z
title: BindingDB Entry 50002668: Reversible, orally available ADP receptor (P2Y

description: Small molecule binding data for protein Purinergic receptor P2Y12, Uniprot Q9H244
DOI: 10.7270/q2jw8hhh
title: BindingDB Entry 50002670: Design and discovery of thioether and nicotinamide containing sorafenib analogues as multikinase inhibitors targeting B-Raf, B-Raf

description: Small molecule binding data for protein BRAF/CRAF, Epidermal growth factor receptor, Mast/stem cell growth factor receptor Kit, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P00533, P10721, P15056, P35968, and P36888