cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q22n52dw
title: BindingDB Entry 50031535: Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763 and P11497
DOI: 10.7270/q22v2gjk
title: BindingDB Entry 50034160: Synthesis and biological evaluation of 2-indolinone derivatives as potential antitumor agents.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q23n23j8
title: BindingDB Entry 50031524: Novel acyl coenzyme A (CoA): diacylglycerol acyltransferase-1 inhibitors: synthesis and biological activities of diacylethylenediamine derivatives.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 and Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907 and Q9Z2A7
DOI: 10.7270/q2416xck
title: BindingDB Entry 50033306: MMP-13 selectivea-sulfone hydroxamates: a survey of P1' heterocyclic amide isosteres.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P14780, P22894, P45452, and P50281
DOI: 10.7270/q24x5845
title: BindingDB Entry 50033298: Triamino pyrimidines and pyridines as histamine H(4) receptor modulators.

description: Small molecule binding data for protein Histamine receptor (H4), Uniprot Q9H3N8
DOI: 10.7270/q25m65z8
title: BindingDB Entry 50032474: 3-Urea-1-(phenylmethyl)-pyridones as novel, potent, and selective EP3 receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, PTGER2, Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid FP receptor, Prostanoid TP receptor, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P21731, P33261, P34980, P34995, P35408, P43088, P43115, P43116, and Q12809
DOI: 10.7270/q26d5t47
title: BindingDB Entry 50031532: 3'-[4-Aryl-(1,2,3-triazol-1-yl)]-3'-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase.

description: Small molecule binding data for protein Deoxynucleoside kinase, Thymidine kinase, Thymidine kinase, cytosolic, and Thymidine kinase, mitochondrial, Uniprot O00142, P04183, and Q9XZT6
DOI: 10.7270/q26m377v
title: BindingDB Entry 50034159: Synthesis and in vitro EGFR (ErbB1) tyrosine kinase inhibitory activity of 4-N-substituted 6-aryl-7H-pyrrolo[2,3-d]pyrimidine-4-amines.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q29c6xpm
title: BindingDB Entry 50032473: Toward the development of innovative bifunctional agents to induce differentiation and to promote apoptosis in leukemia: clinical candidates and perspectives.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, Cathepsin G, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6, Induced myeloid leukemia cell differentiation protein Mcl-1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Retinoid X receptor gamma/retinoic acid receptor alpha, Retinoid receptor, Tyrosine-protein kinase Kit (Kit), and Tyrosine-protein kinase receptor FLT3, Uniprot P07333, P07949, P08311, P09619, P10276, P10415, P10721, P10826, P11802, P13631, P16234, P36888, Q00534, Q07817, and Q07820
DOI: 10.7270/q2bc3zxb
title: BindingDB Entry 50034158: Synthesis and inhibition study of monoamine oxidase, indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase by 3,8-substituted 5H-indeno[1,2-c]pyridazin-5-one derivatives.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] B, Uniprot P27338
DOI: 10.7270/q2cf9qd0
title: BindingDB Entry 50033304: MMP-13 selective alpha-sulfone hydroxamates: identification of selective P1' amides.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), and Matrix metalloproteinase-14 (MMP14), Uniprot P03956, P08253, P14780, P22894, P45452, and P50281
DOI: 10.7270/q2df6rjc
title: BindingDB Entry 50033296: Biological evaluation of 3'-O-alkylated analogs of salacinol, the role of hydrophobic alkyl group at 3' position in the side chain on thea-glucosidase inhibitory activity.

description: Small molecule binding data for protein Acidic alpha-glucosidase and alpha-Glucosidase (α-Glucosidase), Uniprot P23739 and Q6P7A9
DOI: 10.7270/q2f47pcw
title: BindingDB Entry 50032472: Design, synthesis, and evaluation of indolinones as inhibitors of the transforming growth factorß receptor I (TGFßRI).

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Bone morphogenetic protein receptor type-2, Platelet-derived growth factor receptor, TGF-beta receptor type I, and TGF-beta receptor type II, Uniprot P16234, P36897, P37173, Q13873, and Q9UM73
DOI: 10.7270/q2f47pj4
title: BindingDB Entry 50034165: Molecular modeling: a search for a calpain inhibitor as a new treatment for cataractogenesis.

description: Small molecule binding data for protein Calpain 1 and Calpain-2 (m-Calpain), Uniprot P17655 and P97571
DOI: 10.7270/q2fx79md
title: BindingDB Entry 50031529: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.

description: Small molecule binding data for protein C-RAF, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, MAP kinase p38, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 14, Platelet-derived growth factor receptor, SRC, Tyrosine-protein kinase Kit (Kit), Vascular endothelial growth factor receptor 2, Voltage-gated potassium channel, and p38 delta/gamma, Uniprot O15264, P04049, P05177, P06239, P08684, P10635, P10721, P11712, P16234, P33261, P35968, P49137, P53778, Q12809, Q15759, and Q16539
DOI: 10.7270/q2g44qph
title: BindingDB Entry 50034157: Syntheses of phenylpyrazolodiazepin-7-ones as conformationally rigid analogs of aminopyrazole amide scaffold and their antiproliferative effects on cancer cells.

description: Small molecule binding data for protein AKT/p21CIP1, ALK tyrosine kinase receptor, C-RAF, CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Dual specificity mitogen-activated protein kinase kinase 1, Epidermal growth factor receptor, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, JAK3/JAK1, MAP kinase ERK2, Macrophage colony stimulating factor receptor, Macrophage-stimulating protein receptor, Mitogen-activated protein kinase 14, Neurotrophic tyrosine kinase receptor type 2, PI3-kinase subunit alpha, Proto-oncogene tyrosine-protein kinase ROS, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and c-Jun N-terminal kinase, JNK, Uniprot O14965, P00519, P00533, P04049, P06239, P06493, P07333, P07948, P08069, P08581, P08922, P10721, P12931, P14635, P21802, P22607, P24864, P24941, P28482, P31749, P35968, P36888, P42336, P42345, P43405, P45983, P49841, P52333, P53350, Q02750, Q04912, Q05397, Q16539, Q16620, and Q9UM73
DOI: 10.7270/q2h70g48
title: BindingDB Entry 50033303: New monoterpene glycosides and phenolic compounds from Distylium racemosum and their inhibitory activity against ribonuclease H.

description: Small molecule binding data for protein Ribonuclease H, Uniprot P0A7Y4
DOI: 10.7270/q2js9qpk
title: BindingDB Entry 50032471: Fluorescent-tagged sp2-iminosugars with potentß-glucosidase inhibitory activity.

description: Small molecule binding data for protein α-glucosidase and Glucosylceramidase, Uniprot P53051 and Q2KHZ8
DOI: 10.7270/q2kp829p
title: BindingDB Entry 50031528: Inhibition studies of a beta-carbonic anhydrase from Brucella suis with a series of water soluble glycosyl sulfanilamides.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2kw5gfc
title: BindingDB Entry 50034156: Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2n016vk
title: BindingDB Entry 50033302: Design and synthesis of N-phenylacetyl (sulfonyl) 4,5-dihydropyrazole derivatives as potential antitumor agents.

description: Small molecule binding data for protein Taq polymerase 1 and Telomerase reverse transcriptase, Uniprot O14746 and P19821
DOI: 10.7270/q2pk0gcd
title: BindingDB Entry 50032470: 3D QSAR study, synthesis, and in vitro evaluation of (+)-5-FBVM as potential PET radioligand for the vesicular acetylcholine transporter (VAChT).

description: Small molecule binding data for protein OPIATE Sigma and Vesicular acetylcholine transporter, Uniprot Q62666 and Q9R0C9
DOI: 10.7270/q2qc03np
title: BindingDB Entry 50031527: Discovery of a spiroindane based compound as a potent, selective, orally bioavailable melanocortin subtype-4 receptor agonist.

description: Small molecule binding data for protein Melanocortin receptor 3, Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32244, P32245, P33032, P41968, P56450, P70596, and Q01726
DOI: 10.7270/q2qn676j
title: BindingDB Entry 50034155: New spirocyclic¿²-isoxazoline derivatives related to selective agonists ofa7 neuronal nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P36544 and Q05941
DOI: 10.7270/q2rr1zkm
title: BindingDB Entry 50033301: Non-competitive and selective dipeptidyl peptidase IV inhibitors with phenethylphenylphthalimide skeleton derived from thalidomide-relateda-glucosidase inhibitors and liver X receptor antagonists.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase VIII, Uniprot P27487 and Q6V1X1
DOI: 10.7270/q2td9xs3
title: BindingDB Entry 50034162: Pharmacophore identification, virtual screening and biological evaluation of prenylated flavonoids derivatives as PKB/Akt1 inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2v40vbk
title: BindingDB Entry 50031526: Synthesis of cycloalkane-annelated 3-phenylsulfonyl-pyrazolo[1,5-a]pyrimidines and their evaluation as 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot P41595, P50406, and Q12809
DOI: 10.7270/q2wh2q9b
title: BindingDB Entry 50033300: Radiosynthesis and preliminary evaluation of 4-[18F]fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as a new positron emission tomography ligand for metabotropic glutamate receptor subtype 1.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Uniprot Q13255
DOI: 10.7270/q2z60pgx
title: BindingDB Entry 50034161: Synthesis, biological evaluation of 9-N-substituted berberine derivatives as multi-functional agents of antioxidant, inhibitors of acetylcholinesterase, butyrylcholinesterase and amyloid-ß aggregation.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2zw1m20
title: BindingDB Entry 50031525: Novel N-substituted benzimidazole CXCR4 antagonists as potential anti-HIV agents.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q20865n7
title: BindingDB Entry 50033307: Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists.

description: Small molecule binding data for protein P2Y purinoceptor 14 and Voltage-gated potassium channel, Uniprot Q12809 and Q9ESG6
DOI: 10.7270/q20v8d1p
title: BindingDB Entry 50032484: 2-Aryl benzimidazoles: human SCD1-specific stearoyl coenzyme-A desaturase inhibitors.

description: Small molecule binding data for protein Fatty acid desaturase 1, Stearoyl-CoA desaturase 1, Stearoyl-CoA desaturase 1 (SCD1), and Stearoyl-CoA desaturase 5, Uniprot O00767, O60427, P07308, Q86SK9, and Q920R3
DOI: 10.7270/q21z44vz
title: BindingDB Entry 50034168: Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade.

description: Small molecule binding data for protein Matriptase, Uniprot Q9Y5Y6
DOI: 10.7270/q2319w76
title: BindingDB Entry 50033315: Identification and initial SAR of silybin: an Hsp90 inhibitor.

description: Small molecule binding data for protein Heat shock protein HSP 90
DOI: 10.7270/q25d8s0v
title: BindingDB Entry 50031545: Effect of essential oils, such as raspberry ketone and its derivatives, on antiandrogenic activity based on in vitro reporter gene assay.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q25q4whd
title: BindingDB Entry 50034167: Discovery, synthesis, and structure-activity relationship development of a series of N-4-(2,5-dioxopyrrolidin-1-yl)phenylpicolinamides (VU0400195, ML182): characterization of a novel positive allosteric modulator of the metabotropic glutamate receptor 4 (mGlu(4)) with oral efficacy in an antiparkin

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Metabotropic glutamate receptor, Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 6, and Metabotropic glutamate receptor 7 (mGlu7), Uniprot O15303, P05177, P08684, P10635, P11712, P31423, P31424, P33261, P35400, and Q14833
DOI: 10.7270/q26t0mzr
title: BindingDB Entry 50033314: A chemotype that inhibits three unrelated pathogenic targets: the botulinum neurotoxin serotype A light chain, P. falciparum malaria, and the Ebola filovirus.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q27p8zqq
title: BindingDB Entry 50033305: Synthesis of cinnamoyl ketoamides as hybrid structures of antioxidants and calpain inhibitors.

description: Small molecule binding data for protein Calpain1/2, Uniprot P07384
DOI: 10.7270/q28c9whs
title: BindingDB Entry 50032482: Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serotonin and norepinephrine transporters (SERT/NET), and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P28223, P28335, P31645, and Q12809
DOI: 10.7270/q2959hq5
title: BindingDB Entry 50031544: Triazines incorporating (R)-3-methylmorpholine are potent inhibitors of the mammalian target of rapamycin (mTOR) with selectivity over PI3Kalpha.

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42346
DOI: 10.7270/q29c6xvv
title: BindingDB Entry 50034166: Discovery of aminobenzyloxyarylamides as¿ opioid receptor selective antagonists: application to preclinical development of a¿ opioid receptor antagonist receptor occupancy tracer.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2b56jw0
title: BindingDB Entry 50031531: Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Peroxisome Proliferator-Activated Receptor alpha, Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Peroxisome proliferator-activated receptor delta (PPAR delta), and Voltage-gated potassium channel, Uniprot P05177, P08684, P10632, P10635, P11712, P23204, P33261, P37231, Q03181, Q07869, Q12809, and Q7TNH1
DOI: 10.7270/q2bg2pb2
title: BindingDB Entry 50033313: Discovery and optimization of a novel, selective and brain penetrant M1 positive allosteric modulator (PAM): the development of ML169, an MLPCN probe.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, P08482, P08912, and P20309
DOI: 10.7270/q2d50n72
title: BindingDB Entry 50032481: Building a MCHR1 homology model provides insight into the receptor-antagonist contacts that are important for the development of new anti-obesity agents.

description: Small molecule binding data for protein Histamine receptor (H3) and Melanin-concentrating hormone receptor, Uniprot Q99705 and Q9Y5N1
DOI: 10.7270/q2dz08gk
title: BindingDB Entry 50031543: 2-Arylureidophenyl-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)triazines as highly potent and selective ATP competitive mTOR inhibitors: optimization of human microsomal stability.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, CDK2/Cyclin A/Cyclin A1, Casein kinase I, Cyclin-Dependent Kinase 1 (CDK1), Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, MAP kinase ERK2, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 2, PI3-kinase subunit alpha, PI3-kinase subunit gamma, PKC alpha and beta-2, Platelet-derived growth factor receptor, Protein kinase C alpha type, Rho-associated protein kinase, Ribosomal protein S6 kinase alpha 1, SRC, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase ABL1, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot O14757, P00519, P05177, P05771, P06241, P06493, P07948, P08631, P08684, P10632, P10635, P11509, P11712, P12931, P14635, P16234, P17252, P20248, P20813, P24941, P28482, P33261, P35968, P42336, P42345, P48736, P49137, P78396, Q12809, Q12851, Q13464, Q15418, Q16539, Q96GD4, and Q9HCP0
DOI: 10.7270/q2g73f1b
title: BindingDB Entry 50033312: Inhalation by design: dual pharmacologyß-2 agonists/M3 antagonists for the treatment of COPD.

description: Small molecule binding data for protein Beta-2 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Muscarinic acetylcholine receptor, and Muscarinic acetylcholine receptor M3, Uniprot P07550, P20309, and Q8K4Z4
DOI: 10.7270/q2hx1cxm
title: BindingDB Entry 50032479: Development of novel inhibitors targeting HIF-1a towards anticancer drug discovery.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2hx1d38
title: BindingDB Entry 50034172: 9,10-secosteroids, protein kinase inhibitors from the Chinese gorgonian Astrogorgia sp.

description: Small molecule binding data for protein AKT/p21CIP1, ALK tyrosine kinase receptor, AXL receptor tyrosine kinase, Aurora kinase B/Inner centromere protein, Dual specificity mitogen-activated protein kinase kinase 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, NUAK family SNF1-like kinase 1, Protein kinase N1, Serine/threonine-protein kinase NEK6, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O60285, P08069, P08581, P11309, P12931, P30530, P31749, P35968, P51955, P53350, Q02750, Q05397, Q16512, Q96GD4, Q9HC98, and Q9UM73
DOI: 10.7270/q2jq1169
title: BindingDB Entry 50031542: Synthesis and biological evaluation of 3-aminopyrrolidine derivatives as CC chemokine receptor 2 antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, C-C chemokine receptor type 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Voltage-gated potassium channel, Uniprot O95950, P05177, P08684, P08908, P10635, P11712, P14416, P21917, P28223, P28335, P33261, P34969, P35462, P41597, P50406, and Q12809
DOI: 10.7270/q2jw8f90
title: BindingDB Entry 50034164: In vivo PET imaging of histone deacetylases by 18F-suberoylanilide hydroxamic acid (18F-SAHA).

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, Q92769, and Q9UBN7
DOI: 10.7270/q2m045rn
title: BindingDB Entry 50033310: Structure-Activity Study of Dihydrocinnamic Acids and Discovery of the Potent FFA1 (GPR40) Agonist TUG-469.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot Q76JU9
DOI: 10.7270/q2np24nb
title: BindingDB Entry 50032478: The rational design of a novel potent analogue of the 5'-AMP-activated protein kinase inhibitor compound C with improved selectivity and cellular activity.

description: Small molecule binding data for protein Ephrin receptor, MAP kinase-interacting serine/threonine-protein kinase MNK1, Ribosomal protein S6 kinase alpha 1, SRC, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P06239, P12931, P17948, P29317, P35968, P36888, Q15418, and Q9BUB5
DOI: 10.7270/q2np24v1
title: BindingDB Entry 50034171: Design, synthesis and biological evaluation of 6-pyridylmethylaminopurines as CDK inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 7 (CDK7), Cyclin-Dependent Kinase 9 (CDK9), Cyclin-dependent kinase 9, and MAP kinase ERK2, Uniprot O60563, P06493, P14635, P28482, P50613, P50750, and P51946