cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2bk1ccf
title: BindingDB Entry 50030480: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists.

description: Small molecule binding data for protein Cholecystokinin receptor, Cyclooxygenase, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, G protein-coupled receptor 44, Prostaglandin E2 receptor, Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostaglandin G/H synthase (cyclooxygenase), Prostanoid DP receptor, Prostanoid FP receptor, and Prostanoid TP receptor, Uniprot P05177, P05979, P08684, P10635, P11712, P21731, P32238, P33261, P35354, P35408, P43088, P43115, P43116, Q13258, Q9Y5Y4, and Q9Z2J6
DOI: 10.7270/q2bp0353
title: BindingDB Entry 50034096: Discovery of novel Cobactin-T based matrix metalloproteinase inhibitors via a ring closing metathesis strategy.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, and P45452
DOI: 10.7270/q2cr5tnz
title: BindingDB Entry 50033234: Oxime amides as a novel zinc binding group in histone deacetylase inhibitors: synthesis, biological activity, and computational evaluation.

description: Small molecule binding data for protein 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/q2df6rgg
title: BindingDB Entry 50032414: Investigation of 4-piperidinols as novel H3 antagonists.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot P58406 and Q9Y5N1
DOI: 10.7270/q2g73dw4
title: BindingDB Entry 50031460: The synthesis and angiotensin converting enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12822
DOI: 10.7270/q2hh6kcp
title: BindingDB Entry 50033233: Small-molecule ligands of methyl-lysine binding proteins.

description: Small molecule binding data for protein Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1), Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3), Lethal(3)malignant brain tumor-like protein 4, and PHD finger protein 13, Uniprot Q86YI8, Q8NA19, and Q96JM7
DOI: 10.7270/q2k074f1
title: BindingDB Entry 50031467: Identification of a urea bioisostere of a triazole oxytocin antagonist.

description: Small molecule binding data for protein Oxytocin receptor and Vasopressin V1a receptor (V1a), Uniprot P30559 and P37288
DOI: 10.7270/q2k35tpq
title: BindingDB Entry 50030487: Design, synthesis, and biological evaluation of 16-substituted 4-azasteroids as tissue-selective androgen receptor modulators (SARMs).

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Mineralocorticoid receptor (MR), Progesterone receptor, and Voltage-gated potassium channel, Uniprot P03372, P04150, P06401, P08235, P10275, and Q12809
DOI: 10.7270/q2k64jgc
title: BindingDB Entry 50034102: Unichiral 2-(2'-pyrrolidinyl)-1,4-benzodioxanes: the 2R,2'S diastereomer of the N-methyl-7-hydroxy analogue is a potenta4ß2- anda6ß2-nicotinic acetylcholine receptor partial agonist.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2m045kd
title: BindingDB Entry 50031459: Discovery of substituted biphenyl imidazoles as potent, bioavailable bombesin receptor subtype-3 agonists.

description: Small molecule binding data for protein BRS3, Bombesin, Bombesin receptor subtype-3, GRPR, and NMBR, Uniprot O54798, P28336, P30550, P32247, Q8K418, and X5D7H2
DOI: 10.7270/q2n016r7
title: BindingDB Entry 50032420: 'Click' assembly of selective inhibitors for MAO-A.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2n87b3d
title: BindingDB Entry 50033232: Discovery of (1S,2R,3R)-2,3-dimethyl-2-phenyl-1-sulfamidocyclopropanecarboxylates: novel and highly selective aggrecanase inhibitors.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), ADAM17, Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot O75173, P03956, P08254, P14780, P45452, P50281, P78536, and Q9UNA0
DOI: 10.7270/q2nz87v9
title: BindingDB Entry 50032412: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model.

description: Small molecule binding data for protein Beta-secretase 1, Cathepsin D, and Cytochrome P450 3A, Uniprot P07339, P08684, and P56817
DOI: 10.7270/q2pv6kd4
title: BindingDB Entry 50030486: Discovery of a novel protein kinase B inhibitor by structure-based virtual screening.

description: Small molecule binding data for protein AKT/p21CIP1 and Serine/threonine-protein kinase AKT, Uniprot P31749, P31751, and Q9Y243
DOI: 10.7270/q2pz5977
title: BindingDB Entry 50034101: A sucrose-derived scaffold for multimerization of bioactive peptides.

description: Small molecule binding data for protein Cholecystokinin receptor and Melanocortin receptor 4, Uniprot P32239 and P32245
DOI: 10.7270/q2rr1zft
title: BindingDB Entry 50032419: Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P07711, P07858, P08684, P11712, P25774, P33261, P43235, and Q12809
DOI: 10.7270/q2s182tq
title: BindingDB Entry 50033231: Discovery of orally active carboxylic acid derivatives of 2-phenyl-5-trifluoromethyloxazole-4-carboxamide as potent diacylglycerol acyltransferase-1 inhibitors for the potential treatment of obesity and diabetes.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, O75908, P08684, P10635, P11712, P33261, P35610, and Q96PD7
DOI: 10.7270/q2td9xhh
title: BindingDB Entry 50031465: Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), and Cathepsin D, Uniprot P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2tm7b4v
title: BindingDB Entry 50030485: Synthesis and biological evaluation of imidazole derivatives as novel NOP/ORL1 receptor antagonists: exploration and optimization of alternative pyrazole structure.

description: Small molecule binding data for protein Nociceptin receptor and Voltage-gated potassium channel, Uniprot P41146 and Q12809
DOI: 10.7270/q2tq61zj
title: BindingDB Entry 50034100: Potent and selective 2-naphthylsulfonamide substituted hydroxamic acid inhibitors of matrix metalloproteinase-13.

description: Small molecule binding data for protein Collagenase, Uniprot P08253 and P45452
DOI: 10.7270/q2vt1sfc
title: BindingDB Entry 50033238: Structural modifications of UMP, UDP, and UTP leading to subtype-selective agonists for P2Y2, P2Y4, and P2Y6 receptors.

description: Small molecule binding data for protein Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P51582, and Q15077
DOI: 10.7270/q2wd40t3
title: BindingDB Entry 50032418: Design and optimization of new piperidines as renin inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A and Renin, Uniprot P00797 and P08684
DOI: 10.7270/q2ws8tk6
title: BindingDB Entry 50033230: Discovery of potent and selective inhibitors of ataxia telangiectasia mutated and Rad3 related (ATR) protein kinase as potential anticancer agents.

description: Small molecule binding data for protein Cytochrome P450 3A, DNA-dependent protein kinase, Serine-protein kinase ATM, Serine/threonine-protein kinase ATR, and Serine/threonine-protein kinase mTOR, Uniprot P08684, P42345, P78527, Q13315, and Q13535
DOI: 10.7270/q2z60p6b
title: BindingDB Entry 50031464: Ultrasmall particle of iron oxide--RGD peptidomimetic conjugate: synthesis and characterisation.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Uniprot P05556 and P08648
DOI: 10.7270/q2z89cg9
title: BindingDB Entry 50030484: Design, synthesis and biological evaluation of new potent and highly selective ROS1-tyrosine kinase inhibitor.

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase ROS, Uniprot P08922
DOI: 10.7270/q2zg6snf
title: BindingDB Entry 50034099: Recent progress in synthesis and bioactivity studies of indolizines.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase, Aromatase (CYP19), Estradiol receptor alpha (ERα), Histamine H3 receptor, Histamine receptor (H3), Neurokinin 1 receptor, and Neurokinin 2 receptor, Uniprot P03372, P11511, P12530, P21452, P25103, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2057g51
title: BindingDB Entry 50032425: New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) and A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), Uniprot O75173 and Q9UNA0
DOI: 10.7270/q21z44jx
title: BindingDB Entry 50031471: SAR of tertiary carbinamine derived BACE1 inhibitors: role of aspartate ligand amine pKa in enzyme inhibition.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2222ttc
title: BindingDB Entry 50030492: Novel indoline-based acyl-CoA: cholesterol acyltransferase inhibitor: Effects of introducing a methanesulfonamide group on physicochemical properties and biological activities.

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q228081r
title: BindingDB Entry 50034106: Design, structure-activity relationship, and highly efficient asymmetric synthesis of 3-phenyl-4-benzylaminopiperidine derivatives as novel neurokinin-1 receptor antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q23b60gj
title: BindingDB Entry 50033246: Design, synthesis, and pharmacological characterization of fluorescent peptides for imaging human V1b vasopressin or oxytocin receptors.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor (V1a), Vasopressin V1b receptor, and Vasopressin V2 receptor (V2), Uniprot P30518, P30559, P37288, and P47901
DOI: 10.7270/q23x86vk
title: BindingDB Entry 50032424: Discovery of a series of potent, orally activea,a-disubstituted piperidine NK(1) antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q25q4w7t
title: BindingDB Entry 50031470: Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q25t3khb
title: BindingDB Entry 50030491: Novel tricyclic antagonists of the prostaglandin D2 receptor DP2 with efficacy in a murine model of allergic rhinitis.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, G protein-coupled receptor 44, Prostanoid DP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P08684, P10635, P11712, P21731, P43119, Q13258, and Q9Y5Y4
DOI: 10.7270/q2736r7b
title: BindingDB Entry 50033244: 5'-Modified pyrimidine nucleosides as inhibitors of ribonuclease A.

description: Small molecule binding data for protein CAM-RNase A, Uniprot P61823
DOI: 10.7270/q27p8zmc
title: BindingDB Entry 50032423: Synthesis and biological evaluation of bivalent ligands for the cannabinoid 1 receptor.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot P20272, P21554, and P34972
DOI: 10.7270/q29g5mz4
title: BindingDB Entry 50031469: Synthesis and structure-activity relationships of N3-pyridylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor, Uniprot P35353
DOI: 10.7270/q29k4b72
title: BindingDB Entry 50030490: Synthesis and biochemical evaluation of a range of sulfonated derivatives of 4-hydroxybenzyl imidazole as highly potent inhibitors of rat testicular 17alpha-hydroxylase/17,20-lyase (P-450(17alpha)).

description: Small molecule binding data for protein Aromatase (CYP19) and Cytochrome P450 17A1, Uniprot P11511 and P11715
DOI: 10.7270/q2br8shk
title: BindingDB Entry 50033243: Using small molecules to target protein phosphatases.

description: Small molecule binding data for protein Cdc25C, Dual specificity phosphatase Cdc25B, Dual specificity protein phosphatase (VHR), Probable low molecular weight protein-tyrosine-phosphatase, Protein Tyrosine Phosphatase PTPB, Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 4A3, and phosphatase Cdc25, Uniprot O75365, P18031, P30304, P30305, P30307, P51452, P9WIA1, and Q06124
DOI: 10.7270/q2cf9qb3
title: BindingDB Entry 50032422: Indole- and benzothiophene-based histamine H3 antagonists.

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1
DOI: 10.7270/q2d79bjg
title: BindingDB Entry 50031477: Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.

description: Small molecule binding data for protein Macrophage migration inhibitory factor (MIF), Uniprot P14174
DOI: 10.7270/q2df6rnq
title: BindingDB Entry 50034111: Discovery of a series of potent and selective human H4 antagonists using ligand efficiency and libraries to explore structure-activity relationship (SAR).

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P25021, P35367, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2f76cq9
title: BindingDB Entry 50031468: Discovery and SAR of hydantoin TACE inhibitors.

description: Small molecule binding data for protein ADAM17, Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot O14672, P03956, P08253, P08254, P09237, P14780, P45452, P50281, P78536, and Q13443
DOI: 10.7270/q2fb52zc
title: BindingDB Entry 50030488: 3,5-Diphenylpent-2-enoic acids as allosteric activators of the protein kinase PDK1: structure-activity relationships and thermodynamic characterization of binding as paradigms for PIF-binding pocket-targeting compounds.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2ff3srn
title: BindingDB Entry 50034103: Steroidal C-21 mercapto derivatives as dissociated steroids: discovery of an inhaled dissociated steroid.

description: Small molecule binding data for protein Glucocorticoid and Glucocorticoid receptor, Uniprot P04150 and P06536
DOI: 10.7270/q2gh9j8r
title: BindingDB Entry 50033242: Role of the side chain stereochemistry in thea-glucosidase inhibitory activity of kotalanol, a potent naturala-glucosidase inhibitor.

description: Small molecule binding data for protein Acidic alpha-glucosidase and alpha-Glucosidase (α-Glucosidase), Uniprot P23739 and Q6P7A9
DOI: 10.7270/q2h70g2c
title: BindingDB Entry 50032421: Piperidine-based renin inhibitors: upper chain optimization.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2j38sm7
title: BindingDB Entry 50030496: Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.

description: Small molecule binding data for protein Cyclin-dependent kinase 1 and MAP kinase-activated protein kinase 2, Uniprot P06493 and P49137
DOI: 10.7270/q2j67hb0
title: BindingDB Entry 50034110: Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region.

description: Small molecule binding data for protein Acetylcholinesterase, Adenosine receptor A1, Phosphodiesterase 1, Phosphodiesterase 1A (PDE1A), Phosphodiesterase 1C (PDE1C), Phosphodiesterase 3 (PDE3), Phosphodiesterase 7, Phosphodiesterase 8, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C, cAMP-specific 3',5'-cyclic phosphodiesterase 7B, cGMP-inhibited 3',5'-cyclic phosphodiesterase B, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O60658, O76074, O95263, P22303, P27815, P30542, P54750, Q01064, Q07343, Q08493, Q13370, Q13946, Q14123, Q14432, and Q9NP56
DOI: 10.7270/q2m90901
title: BindingDB Entry 50033241: Decahydroquinoline amides as highly selective CB2 agonists: role of selectivity on in vivo efficacy in a rodent model of analgesia.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 2, and Cannabinoid receptor 2 (CB2), Uniprot P20272, P21554, P34972, and Q9QZN9
DOI: 10.7270/q2ns0v2p
title: BindingDB Entry 50031475: Discovery of a biaryl cyclohexene carboxylic acid (MK-6892): a potent and selective high affinity niacin receptor full agonist with reduced flushing profiles in animals as a preclinical candidate.

description: Small molecule binding data for protein Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Hydroxycarboxylic acid receptor 2, Uniprot P08684, P10632, P10635, P11712, Q80Z39, Q8TDS4, and Q9EP66
DOI: 10.7270/q2nv9j96
title: BindingDB Entry 50030495: Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2 and M4, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, Transporter, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P05177, P08173, P08684, P08912, P10635, P11712, P23975, P31645, P33261, Q01959, Q12809, and Q14524
DOI: 10.7270/q2nz882d
title: BindingDB Entry 50034109: Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1).

description: Small molecule binding data for protein Proton-coupled amino acid transporter 1, Uniprot Q7Z2H8
DOI: 10.7270/q2pr7w4m
title: BindingDB Entry 50031466: Design of two new chemotypes for inhibiting the Janus kinase 2 by scaffold morphing.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q2q240jh
title: BindingDB Entry 50033250: Design, synthesis and structure-activity relationship (SAR) studies of 2,4-disubstituted pyrimidine derivatives: dual activity as cholinesterase and Aß-aggregation inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot P22303 and Q9N1N9
DOI: 10.7270/q2r211qb
title: BindingDB Entry 50033240: Synthesis and biological evaluation of new 2-alkylaminoethyl-1,1-bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii targeting farnesyl diphosphate synthase.

description: Small molecule binding data for protein Farnesyl diphosphate synthase and Farnesyl synthetase, putative
DOI: 10.7270/q2sj1krj
title: BindingDB Entry 50031473: Dopamine receptor ligands. Part 18: (1) modification of the structural skeleton of indolobenzazecine-type dopamine receptor antagonists.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, P21918, and P35462
DOI: 10.7270/q2sn091g
title: BindingDB Entry 50030494: Discovery of imidazo[1,2-a]pyridines as potent MCH1R antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2sq90t5
title: BindingDB Entry 50034108: Optimization of propafenone analogues as antimalarial leads.

description: Small molecule binding data for protein Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot A0A024RAV7, O60706, Q12809, Q14524, and Q14654
DOI: 10.7270/q2tt4r8j
title: BindingDB Entry 50033249: Small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26): synthesis and biological evaluation of imidazole methyl 3-(4-(aryl-2-ylamino)phenyl)propanoates.

description: Small molecule binding data for protein Cytochrome CYP26A1, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot O43174, P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2vh5p2m
title: BindingDB Entry 50032426: Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2x63n3d
title: BindingDB Entry 50031472: 3D-QSAR and docking studies on transforming growth factor (TGF)-beta receptor 1 antagonists.

description: Small molecule binding data for protein TGF-beta receptor type I, Uniprot P36897
DOI: 10.7270/q2xd11qb
title: BindingDB Entry 50030493: Synthesis and biological evaluation of 3,6-diamino-1H-pyrazolo[3,4-b]pyridine derivatives as protein kinase inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5) and Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Uniprot Q00535 and Q13627
DOI: 10.7270/q2xg9rkz
title: BindingDB Entry 50034107: Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists.

description: Small molecule binding data for protein G-protein coupled receptor 35, Uniprot Q9HC97
DOI: 10.7270/q2zk5h08
title: BindingDB Entry 50033248: Reversible competitivea-ketoheterocycle inhibitors of fatty acid amide hydrolase containing additional conformational constraints in the acyl side chain: orally active, long-acting analgesics.

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and P97612
DOI: 10.7270/q20z73dj
title: BindingDB Entry 50031480: Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684