cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2ff3stj
title: BindingDB Entry 50034491: 4-Piperidin-4-ylidenemethyl-benzamides asd-opioid receptor agonists for CNS indications: identifying clinical candidates.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and Voltage-gated potassium channel, Uniprot P35372, P41143, and Q12809
DOI: 10.7270/q2fn16qg
title: BindingDB Entry 50035297: Dihydroquinolines with amine-containing side chains as potent n-NOS inhibitors.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, inducible, and Nitric-oxide synthase (endothelial and brain), Uniprot P29475 and P35228
DOI: 10.7270/q2fq9x0g
title: BindingDB Entry 50033631: Novel thiazolidinedione derivatives with anti-obesity effects: dual action as PTP1B inhibitors and PPAR-¿ activators.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Protein-tyrosine phosphatase 1, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and T-cell protein-tyrosine phosphatase, Uniprot P10586, P17706, P18031, P25044, P29350, and P37231
DOI: 10.7270/q2gf0tr7
title: BindingDB Entry 50032839: The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2j67hdw
title: BindingDB Entry 50034498: A scaffold hopping approach to identify novel monoamine oxidase B inhibitors.

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/q2jh3mjh
title: BindingDB Entry 50033639: 8-Aryl- and alkyloxycaffeine analogues as inhibitors of monoamine oxidase.

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/q2k64jht
title: BindingDB Entry 50034490: Synthesis and structure-activity relationship of 5-pyridazin-3-one phenoxypiperidines as potent, selective histamine H(3) receptor inverse agonists.

description: Small molecule binding data for protein Histamine H3 receptor, Histamine receptor (H3), Muscarinic acetylcholine receptor M2, and Voltage-gated potassium channel, Uniprot P08172, Q12809, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2kd1zft
title: BindingDB Entry 50035296: Sphingomyelin analogues as inhibitors of sphingomyelinase.

description: Small molecule binding data for protein Neutral sphingomyelinase, Uniprot Q9ET64
DOI: 10.7270/q2m32w2n
title: BindingDB Entry 50032838: GS-9191 is a novel topical prodrug of the nucleotide analog 9-(2-phosphonylmethoxyethyl)guanine with antiproliferative activity and possible utility in the treatment of human papillomavirus lesions.

description: Small molecule binding data for protein DNA polymerase (alpha/delta/epsilon), DNA polymerase beta, and DNA polymerase gamma subunit 1, Uniprot P06746, P09884, and P54098
DOI: 10.7270/q2nz883v
title: BindingDB Entry 50034497: Synthesis and biological evaluation of benzo[d]imidazole derivatives as potential anti-cancer agents.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563 and P50750
DOI: 10.7270/q2p84c87
title: BindingDB Entry 50033638: Synthesis and biological evaluation of potential 5-HT(7) receptor PET radiotracers.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), Uniprot P34969
DOI: 10.7270/q2q52q5j
title: BindingDB Entry 50035295: Binding mode of 6ECDCA, a potent bile acid agonist of the farnesoid X receptor (FXR).

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2qv3msn
title: BindingDB Entry 50032837: Trypanothione reductase high-throughput screening campaign identifies novel classes of inhibitors with antiparasitic activity.

description: Small molecule binding data for protein Glucocorticoid receptor and Trypanothione reductase, Uniprot P04150 and P28593
DOI: 10.7270/q2sq90vm
title: BindingDB Entry 50034496: Small molecule inhibitors of BRAF in clinical trials.

description: Small molecule binding data for protein C-RAF, RAF serine/threonine protein kinase, and Vascular endothelial growth factor receptor 2, Uniprot P04049, P15056, and P35968
DOI: 10.7270/q2t1541d
title: BindingDB Entry 50033637: Synthesis and biological evaluation of conformationally flexible as well as restricted dimers of monastrol and related dihydropyrimidones.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2tm7bc0
title: BindingDB Entry 50032845: Triterpenoidal alkaloids from Buxus natalensis and their acetylcholinesterase inhibitory activity.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2tx3fx0
title: BindingDB Entry 50035294: Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2xg9rmd
title: BindingDB Entry 50034495: Amides of xanthurenic acid as zinc-dependent inhibitors of Lp-PLA(2).

description: Small molecule binding data for protein LDL-associated phospholipase A2, Uniprot Q13093
DOI: 10.7270/q2xs5vr1
title: BindingDB Entry 50033636: Discovery of N-(1-ethylpropyl)-[3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl]amine 59 (NGD 98-2): an orally active corticotropin releasing factor-1 (CRF-1) receptor antagonist.

description: Small molecule binding data for protein Corticotropin releasing factor receptor and Corticotropin releasing factor receptor 1, Uniprot P34998 and P35353
DOI: 10.7270/q2zc833q
title: BindingDB Entry 50032844: Isolation and characterization of minor analogues of silvestrol and other constituents from a large-scale re-collection of Aglaia foveolata.

description: Small molecule binding data for protein Nuclear factor NF-kappa-B, Uniprot Q04206
DOI: 10.7270/q2zp46nq
title: BindingDB Entry 50035292: Inactivation of S-adenosyl-L-homocysteine hydrolase with novel 5'-thioadenosine derivatives. Antiviral effects.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q20k28z3
title: BindingDB Entry 50033651: Benzisothiazolones as modulators of macrophage migration inhibitory factor.

description: Small molecule binding data for protein Macrophage migration inhibitory factor (MIF), Uniprot P14174
DOI: 10.7270/q21836zv
title: BindingDB Entry 50034502: Discovery of novel selective inhibitors for EGFR-T790M/L858R.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q21g0mtz
title: BindingDB Entry 50035308: Design of a new peptidomimetic agonist for the melanocortin receptors based on the solution structure of the peptide ligand, Ac-Nle-cyclo[Asp-Pro-DPhe-Arg-Trp-Lys]-NH(2).

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3 (MC3R), and Melanocortin receptor 4, Uniprot P32245, P41968, and Q01727
DOI: 10.7270/q21j9b4s
title: BindingDB Entry 50033643: Generation of 'Unnatural Natural Product' library and identification of a small molecule inhibitor of XIAP.

description: Small molecule binding data for protein PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C, epsilon, Protein kinase C, eta, and Protein kinase C, gamma, Uniprot P05129, P05771, P17252, P24723, Q02156, and Q05655
DOI: 10.7270/q2251jfs
title: BindingDB Entry 50032851: Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT(1A) activity. part 3.

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Sodium-dependent serotonin transporter, Uniprot P19327 and P31652
DOI: 10.7270/q2571cjp
title: BindingDB Entry 50035307: Phosphinic acid-based MMP-13 inhibitors that spare MMP-1 and MMP-3.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), and Stromelysin-1, Uniprot P03956, P08253, P08254, P22894, P39900, and P45452
DOI: 10.7270/q25b02t6
title: BindingDB Entry 50033642: Design, synthesis and biological evaluation of 2'-deoxy-2',2'-difluoro-5-halouridine phosphoramidate ProTides.

description: Small molecule binding data for protein Thymidine kinase, Uniprot P13159 and Q9QNF7
DOI: 10.7270/q25x296n
title: BindingDB Entry 50032850: Molecular modeling studies on imidazo[4,5-b]pyridine derivatives as Aurora A kinase inhibitors using 3D-QSAR and docking approaches.

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora, Uniprot O14965
DOI: 10.7270/q28s4qc5
title: BindingDB Entry 50034500: Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR¿ partial agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q28w3dvc
title: BindingDB Entry 50035306: An evaluation of a C-glucuronide as a liver targeting group: conjugate of a glucocorticoid antagonist.

description: Small molecule binding data for protein Glucocorticoid and Glucocorticoid receptor, Uniprot P04150 and P06536
DOI: 10.7270/q2902452
title: BindingDB Entry 50033641: Probes for narcotic receptor mediated phenomena. 43. Synthesis of the ortho-a and para-a, and improved synthesis and optical resolution of the ortho-b and para-b oxide-bridged phenylmorphans: compounds with moderate to low opioid-receptor affinity.

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/q29p31xz
title: BindingDB Entry 50032849: Catechin derivatives from Parapiptadenia rigida with in vitro wound-healing properties.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2cj8dz3
title: BindingDB Entry 50034507: 17ß-Arylsulfonamides of 17ß-aminoestra-1,3,5(10)-trien-3-ol as highly potent inhibitors of steroid sulfatase.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2cr5tqv
title: BindingDB Entry 50033648: Discovery and evaluation of 3-phenyl-1H-5-pyrazolylamine-based derivatives as potent, selective and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3).

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, O14965, P17948, P35968, and P36888
DOI: 10.7270/q2dn45k3
title: BindingDB Entry 50035305: Bivalent biogenic amine reuptake inhibitors.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2dr2vv7
title: BindingDB Entry 50033640: Angiotensin-I-converting enzyme inhibitory peptides: Chemical feature based pharmacophore generation.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12822
DOI: 10.7270/q2ff3sn9
title: BindingDB Entry 50032848: Antiproliferative activity of phenylbutyrate ester of haloperidol metabolite II [(±)-MRJF4] in prostate cancer cells.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, and Sigma-1 receptor, Uniprot P19020, P61169, and Q60492
DOI: 10.7270/q2h995nc
title: BindingDB Entry 50034506: New inhibitors of dihydroorotate dehydrogenase (DHODH) based on the 4-hydroxy-1,2,5-oxadiazol-3-yl (hydroxyfurazanyl) scaffold.

description: Small molecule binding data for protein Dihydroorotate Dehydrogenase (DHODH), Uniprot Q63707
DOI: 10.7270/q2hh6kd4
title: BindingDB Entry 50033647: Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2jd4xbw
title: BindingDB Entry 50035304: Urea small molecule agonists on mouse melanocortin receptors.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2k64jbk
title: BindingDB Entry 50032847: Pulicatins A-E, neuroactive thiazoline metabolites from cone snail-associated bacteria.

description: Small molecule binding data for protein Serotonin receptor (2b and 2c), Uniprot P41595
DOI: 10.7270/q2n0170s
title: BindingDB Entry 50034505: Structure-activity relationships for the interaction of 5,10-dihydroindeno[1,2-b]indole derivatives with human and bovine carbonic anhydrase isoforms I, II, III, IV and VI.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 3 (CA III), Carbonic anhydrase 4, and Carbonic anhydrase 6 (CA-VI), Uniprot P00915, P00918, P22748, P23280, and Q3SZX4
DOI: 10.7270/q2n87b4v
title: BindingDB Entry 50033646: Synthesis of an aryloxy oxo pyrimidinone library that displays ALK-selective inhibition.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Hepatocyte growth factor receptor, and Insulin receptor, Uniprot P06213, P08581, and Q9UM73
DOI: 10.7270/q2nz87x6
title: BindingDB Entry 50032855: Synthesis, biological assessment and molecular modeling of new dihydroquinoline-3-carboxamides and dihydroquinoline-3-carbohydrazide derivatives as cholinesterase inhibitors, and Ca channel antagonists.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2p55p2m
title: BindingDB Entry 50035303: Development of progesterone receptor antagonists from 1,2-dihydrochromeno[3,4-f]quinoline agonist pharmacophore.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q2pv6kn8
title: BindingDB Entry 50032846: Citrusosides A-D and furanocoumarins with cholinesterase inhibitory activity from the fruit peels of Citrus hystrix.

description: Small molecule binding data for protein Butyrylcholinesterase (BuChE), Uniprot P81908
DOI: 10.7270/q2rr1zpz
title: BindingDB Entry 50034504: [¹¿?¿F]GE-180: a novel fluorine-18 labelled PET tracer for imaging Translocator protein 18 kDa (TSPO).

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q2s182v5
title: BindingDB Entry 50033645: Discovery of imidazo[1,2-b]pyridazines as IKKß inhibitors. Part 3: exploration of effective compounds in arthritis models.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q2sq90nx
title: BindingDB Entry 50032854: 1,2,5-Oxadiazole analogues of leflunomide and related compounds.

description: Small molecule binding data for protein Dihydroorotate Dehydrogenase (DHODH), Uniprot Q63707
DOI: 10.7270/q2sx6dsm
title: BindingDB Entry 50035302: Synthesis and biological activity of 5-methylidene 1,2-dihydrochromeno[3,4-f]quinoline derivatives as progesterone receptor modulators.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q2wh2qf4
title: BindingDB Entry 50034503: Synthesis and carbonic anhydrase inhibitory properties of novel cyclohexanonyl bromophenol derivatives.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 4, and Carbonic anhydrase 6 (CA-VI), Uniprot P00915, P00918, P22748, and P23280
DOI: 10.7270/q2ws8tmn
title: BindingDB Entry 50033644: Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38a MAP kinase inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Cyclin-dependent kinase 2, Cytochrome P450 2C9, Cytochrome P450 3A, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin-like growth factor I receptor, JAK3/JAK1, MAP kinase p38, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 14, Protein kinase C (PKC), Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C theta type, SRC, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase SYK, Vascular endothelial growth factor receptor 2, c-Jun N-terminal kinase, JNK, and p38 delta/gamma, Uniprot O14920, O15264, P00533, P04626, P06239, P08069, P08581, P08684, P11362, P11712, P17252, P24941, P31749, P35968, P43405, P45983, P49137, P52333, P53778, Q04759, Q05513, Q05655, Q08881, Q15759, and Q16539
DOI: 10.7270/q2xd11zg
title: BindingDB Entry 50032853: Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities.

description: Small molecule binding data for protein Cyclooxygenase-1 (COX-1), Uniprot P23219
DOI: 10.7270/q2xp75hb
title: BindingDB Entry 50035301: Inhibition of mandelate racemase by alpha-fluorobenzylphosphonates.

description: Small molecule binding data for protein Mandelate racemase (MR), Uniprot P11444
DOI: 10.7270/q20865rk
title: BindingDB Entry 50034510: Synthesis and evaluation of debromohymenialdisine-derived Chk2 inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1 and Serine/threonine-protein kinase Chk2, Uniprot O14757 and O96017
DOI: 10.7270/q20g3kpk
title: BindingDB Entry 50035317: Design, synthesis and antimalarial activity of novel, quinoline-based, zinc metallo-aminopeptidase inhibitors.

description: Small molecule binding data for protein Aminopeptidase N and Zinc aminopeptidase, Uniprot O96935 and P15144
DOI: 10.7270/q2154hbv
title: BindingDB Entry 50032860: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Antrax lethal toxin, Collagenase, and Tyrosinase, Uniprot O42713, P08253, P09917, and P15917
DOI: 10.7270/q2319wbj
title: BindingDB Entry 50034517: Design, synthesis and pharmacological evaluation of new series of naphthalenic analogues as melatoninergic (MT1/MT2) and serotoninergic 5-HT2C dual ligands (I).

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), Uniprot P28335
DOI: 10.7270/q23b60h0
title: BindingDB Entry 50033658: Benzimidazolone as potent chymase inhibitor: modulation of reactive metabolite formation in the hydrophobic (P1) region.

description: Small molecule binding data for protein Cathepsin G and Chymase, Uniprot P08311 and P23946
DOI: 10.7270/q2416xhc
title: BindingDB Entry 50034509: Novel inhibitors of nitric oxide synthase with antioxidant properties.

description: Small molecule binding data for protein Nitric-oxide synthase, brain and Nitric-oxide synthase, endothelial, Uniprot P29476 and P70313
DOI: 10.7270/q2474bd9
title: BindingDB Entry 50035316: Sub-nanomolar hMC1R agonists by end-capping of the melanocortin tetrapeptide His-D-Phe-Arg-Trp-NH(2).

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P41968, and Q01726
DOI: 10.7270/q24b31q8
title: BindingDB Entry 50033650: Discovery of bacterial NAD+-dependent DNA ligase inhibitors: optimization of antibacterial activity.

description: Small molecule binding data for protein DNA Ligase I, Uniprot P18858
DOI: 10.7270/q24x5828
title: BindingDB Entry 50032859: Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase VIII, Uniprot P27487 and Q6V1X1
DOI: 10.7270/q2513zvf
title: BindingDB Entry 50036268: Isothiocyanate-substituted kappa-selective opioid receptor ligands derived from N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl] phenylacetamide.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q26t0n3z
title: BindingDB Entry 50034516: QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT).

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2736r97
title: BindingDB Entry 50033657: Structure-activity study on a series ofa-glutamic acid scaffold based compounds as new ADAMTS inhibitors.

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/q27s7p7s
title: BindingDB Entry 50034508: Design, synthesis and biological evaluation of N-phenylsulfonylnicotinamide derivatives as novel antitumor inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2805341
title: BindingDB Entry 50035315: Effect of structural modification on the inhibitory selectivity of rutaecarpine derivatives on human CYP1A1, CYP1A2, and CYP1B1.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 1A1, and Cytochrome P450 1B1, Uniprot P04798, P05177, and Q16678
DOI: 10.7270/q2833sd5
title: BindingDB Entry 50033649: Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.

description: Small molecule binding data for protein Heat shock protein HSP90 and Voltage-gated potassium channel, Uniprot P07900 and Q12809
DOI: 10.7270/q28p60sk
title: BindingDB Entry 50032858: Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q28s4qjd
title: BindingDB Entry 50036267: Design, synthesis, and neurochemical evaluation of 2-amino-5-(alkoxycarbonyl)-3,4,5,6-tetrahydropyridines and 2-amino-5-(alkoxycarbonyl)-1,4,5,6-tetrahydropyrimidines as M1 muscarinic receptor agonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482
DOI: 10.7270/q2bv7h06
title: BindingDB Entry 50033656: Pharmacophore modeling and virtual screening to identify potential RET kinase inhibitors.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Uniprot P07949
DOI: 10.7270/q2cn74g5
title: BindingDB Entry 50035314: High throughput screening identifies novel inhibitors of Escherichia coli dihydrofolate reductase that are competitive with dihydrofolate.

description: Small molecule binding data for protein Dihydrofolate reductase