cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2gq6z2z
title: BindingDB Entry 50033210: The discovery of phthalazinone-based human H1 and H3 single-ligand antagonists suitable for intranasal administration for the treatment of allergic rhinitis.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine H1 receptor, Histamine H2 Receptor, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P25021, P33261, P35367, and Q12809
DOI: 10.7270/q2h995d7
title: BindingDB Entry 50032388: Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase Aurora-C, Uniprot O14965, Q96GD4, and Q9UQB9
DOI: 10.7270/q2k35trm
title: BindingDB Entry 50031432: Synthesis and evaluation of opioid receptor-binding affinity of elaeocarpenine and its analogs.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and Opioid receptor, Uniprot P34975, P35372, and P41143
DOI: 10.7270/q2k64j4w
title: BindingDB Entry 50030451: Identification of enoxacin as an inhibitor of osteoclast formation and bone resorption by structure-based virtual screening.

description: Small molecule binding data for protein V-type proton ATPase subunit B, brain isoform, Uniprot P21281
DOI: 10.7270/q2m32w0r
title: BindingDB Entry 50032395: Discovery of 1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one as a highly potent, selective mammalian target of rapamycin (mTOR) inhibitor for the treatment of cancer.

description: Small molecule binding data for protein DNA-dependent protein kinase, PI3-kinase subunit gamma, PI4KA/PI4KAP2, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 4-kinase beta (PIK4KB), Phosphatidylinositol 4-phosphate 3-kinase C2 alpha (PIK3C2A), Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide, Phosphoinositide 3-Kinase (PI3K), delta, Serine/threonine-protein kinase MRCK alpha, Serine/threonine-protein kinase mTOR, Serine/threonine-protein kinase mTOR (mTOR), and p110α/p85α, Uniprot O00329, O00443, O00750, P27986, P42336, P42345, P48736, P78527, Q5VT25, Q8NEB9, Q9JLN9, and Q9UBF8
DOI: 10.7270/q2mg7ps8
title: BindingDB Entry 50033209: Synthesis and biological evaluation of novel 5-benzylidenethiazolidine-2,4-dione derivatives for the treatment of inflammatory diseases.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2) and Nitric Oxide Synthase, inducible, Uniprot P29477 and Q05769
DOI: 10.7270/q2pv6kg1
title: BindingDB Entry 50031431: Replacement of pyrazol-3-yl amine hinge binder with thiazol-2-yl amine: Discovery of potent and selective JAK2 inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2 and Voltage-gated potassium channel, Uniprot O60674 and Q12809
DOI: 10.7270/q2pz58vw
title: BindingDB Entry 50030448: Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part II: Identification of 4-ethylamino-3-(2-hydroxyethoxy)-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide and its biological evaluation.

description: Small molecule binding data for protein Acyl-CoA desaturase 1 and Stearoyl-CoA desaturase 1, Uniprot O00767 and P13516
DOI: 10.7270/q2q240nv
title: BindingDB Entry 50034069: Design, synthesis, and SAR studies of novel polycyclic acids as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD-1).

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and Pregnane X receptor (PXR), Uniprot O75469, P28845, and P50172
DOI: 10.7270/q2r49r3p
title: BindingDB Entry 50033208: Design and evaluation of fragment-like estrogen receptor tetrahydroisoquinoline ligands from a scaffold-detection approach.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2rv0nx1
title: BindingDB Entry 50032386: Discovery of pyrrolopyridazines as novel DGAT1 inhibitors.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907 and P35610
DOI: 10.7270/q2sn093c
title: BindingDB Entry 50031438: Arylpiperazine-containing pyrrole 3-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), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P05177, P08684, P08908, P10635, P11712, P14416, P21917, P28223, P28335, P31645, P34969, P35462, and P50406
DOI: 10.7270/q2sq90ds
title: BindingDB Entry 50030459: Discovery of novel aminothiadiazole amides as selective EP(3) receptor antagonists.

description: Small molecule binding data for protein PTGER2, Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid DP receptor, Prostanoid FP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P34980, P34995, P35408, P43088, P43115, P43116, P43119, and Q13258
DOI: 10.7270/q2st7q7h
title: BindingDB Entry 50034076: Carbazole-containing arylcarboxamides as BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2tm7b76
title: BindingDB Entry 50031430: LXXLL peptide mimetics as inhibitors of the interaction of vitamin D receptor with coactivators.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), and Vitamin D receptor, Uniprot P03372, P10275, P11473, and Q92731
DOI: 10.7270/q2tq61km
title: BindingDB Entry 50030447: Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Plasminogen, Pregnane X receptor (PXR), Prothrombin, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, Vitamin K-dependent protein C, and Voltage-gated potassium channel, Uniprot O75469, P00734, P00742, P00747, P00749, P00750, P04070, P05177, P08684, P10632, P10635, P11712, P20813, P33261, and Q12809
DOI: 10.7270/q2tt4rbf
title: BindingDB Entry 50034068: Synthesis and acrosin inhibitory activity of substituted 4-amino-N-(diaminomethylene) benzenesulfonamide derivatives.

description: Small molecule binding data for protein Acrosin, Uniprot P10323
DOI: 10.7270/q2vx0gt7
title: BindingDB Entry 50033207: Pyrimidine-2,4,6-trione derivatives and their inhibition of mutant SOD1-dependent protein aggregation. Toward a treatment for amyotrophic lateral sclerosis.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2xg9r5k
title: BindingDB Entry 50030458: QSAR study on maximal inhibition (Imax) of quaternary ammonium antagonists for S-(-)-nicotine-evoked dopamine release from dopaminergic nerve terminals in rat striatum.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-6 subunit, Uniprot P43143
DOI: 10.7270/q2xk8fxc
title: BindingDB Entry 50034075: Identification and SAR of selective inducible nitric oxide synthase (iNOS) dimerization 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/q2zc830c
title: BindingDB Entry 50031429: 3-(Arylsulfonyl)-1-(azacyclyl)-1H-indoles are 5-HT(6) receptor modulators.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2zg6s9z
title: BindingDB Entry 50030446: Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2zp46f1
title: BindingDB Entry 50033214: Design and synthesis of imidazopyridine analogues as inhibitors of phosphoinositide 3-kinase signaling and angiogenesis.

description: Small molecule binding data for protein Cell division cycle 2-like protein kinase 6, PI3-kinase subunit alpha, PI3-kinase subunit beta, and Serine/threonine-protein kinase mTOR, Uniprot P42336, P42338, P42345, and Q9BWU1
DOI: 10.7270/q2154h62
title: BindingDB Entry 50031445: Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction.

description: Small molecule binding data for protein Neuropilin-1, Uniprot O14786
DOI: 10.7270/q21836h1
title: BindingDB Entry 50030465: Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide.

description: Small molecule binding data for protein Acyl-CoA desaturase 1 and Stearoyl-CoA desaturase 1, Uniprot O00767 and P13516
DOI: 10.7270/q21c1x8v
title: BindingDB Entry 50034082: Design, synthesis and biological study of novel pyrido[2,3-d]pyrimidine as anti-proliferative CDK2 inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2) and Epidermal growth factor receptor, Uniprot P00533, P20248, and P24941
DOI: 10.7270/q22f7nsj
title: BindingDB Entry 50033221: Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides.

description: Small molecule binding data for protein Carbonic anhydrase 7, Uniprot P43166
DOI: 10.7270/q2348kkm
title: BindingDB Entry 50032399: DNA gyrase from the albicidin producer Xanthomonas albilineans has multiple-antibiotic-resistance and unusual enzymatic properties.

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q24x57zh
title: BindingDB Entry 50031444: Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, and Voltage-gated potassium channel, Uniprot P07711, P07858, P25774, P43235, and Q12809
DOI: 10.7270/q2513z7c
title: BindingDB Entry 50030464: Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Voltage-gated potassium channel, Uniprot P10635, P27487, P28843, Q12809, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2542p0k
title: BindingDB Entry 50034081: Design, synthesis and in vitro evaluation of bridgehead fluoromethyl analogs of N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635) for the 5-HT(1A) receptor.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1D, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Dopamine receptors; D2 & D4, and Serotonin receptor (2b and 2c), Uniprot P08908, P21917, P25100, P28221, P34969, P35348, P35368, and P41595
DOI: 10.7270/q2668dh8
title: BindingDB Entry 50033220: Design, synthesis, and evaluation of novel 3,6-diaryl-4-aminoalkoxyquinolines as selective agonists of somatostatin receptor subtype 2.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1) and Somatostatin receptor, Uniprot P30874 and P30968
DOI: 10.7270/q26w9b91
title: BindingDB Entry 50032398: Genetic and biochemical characterization of OXA-63, a new class D beta-lactamase from Brachyspira pilosicoli BM4442.

description: Small molecule binding data for protein Class D beta-lactamase, Uniprot Q50H31
DOI: 10.7270/q28p60ns
title: BindingDB Entry 50031443: Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore.

description: Small molecule binding data for protein Myristoyl-CoA:protein N-myristoyltransferase (Nmt), Uniprot P30419
DOI: 10.7270/q28s4pzc
title: BindingDB Entry 50030463: Fatty acid amide hydrolase inhibitors. Surprising selectivity of chiral azetidine ureas.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cannabinoid receptor 1, Cannabinoid receptor 2, and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519, P21554, P34972, and P97612
DOI: 10.7270/q28w3dqk
title: BindingDB Entry 50034080: 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 3A, Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Voltage-gated potassium channel, Uniprot P08684, P27487, P33261, Q12809, Q6V1X1, and Q86TI2
DOI: 10.7270/q29z957p
title: BindingDB Entry 50033219: Small molecule agonists of the orphan nuclear receptors steroidogenic factor-1 (SF-1, NR5A1) and liver receptor homologue-1 (LRH-1, NR5A2).

description: Small molecule binding data for protein Liver Receptor Homolog 1 and Steroidogenic Factor 1, Uniprot O00482 and Q13285
DOI: 10.7270/q2bp030v
title: BindingDB Entry 50032397: Novel 1',1'-chain substituted hexahydrocannabinols: 9ß-hydroxy-3-(1-hexyl-cyclobut-1-yl)-hexahydrocannabinol (AM2389) a highly potent cannabinoid receptor 1 (CB1) agonist.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272, P34972, and P47936
DOI: 10.7270/q2cn749x
title: BindingDB Entry 50034088: Tricyclic aminopyrimidine histamine H4 receptor antagonists.

description: Small molecule binding data for protein Histamine receptor (H4) and Voltage-gated potassium channel, Uniprot Q12809 and Q9H3N8
DOI: 10.7270/q2df6rbp
title: BindingDB Entry 50031441: C-Aryl glycoside inhibitors of SGLT2: Exploration of sugar modifications including C-5 spirocyclization.

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/q2dj5fp3
title: BindingDB Entry 50030462: HIF-1alpha peptide derivatives with modifications at the hydroxyproline residue as activators of HIF-1alpha.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2fq9wzm
title: BindingDB Entry 50033218: Role of metalation in the topoisomerase IIa inhibition and antiproliferation activity of a series ofa-heterocyclic-N4-substituted thiosemicarbazones and their Cu(II) complexes.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2gb249v
title: BindingDB Entry 50032396: Novel pyridylmethylamines as highly selective 5-HT(1A) superagonists.

description: Small molecule binding data for protein 5-HT2, 5-hydroxytryptamine receptor 1A, Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P35462, P50129, and P50130
DOI: 10.7270/q2h70fx5
title: BindingDB Entry 50031451: Optimization of 5-vinylaryl-3-pyridinecarbonitriles as PKCtheta inhibitors.

description: Small molecule binding data for protein PKC alpha and beta-2, Protein kinase C (PKC), Protein kinase C delta type, Protein kinase C theta type, Protein kinase C, epsilon, Protein kinase C, eta, SRC, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P05771, P06239, P07948, P12931, P24723, Q02156, Q04759, Q05513, and Q05655
DOI: 10.7270/q2j38sqk
title: BindingDB Entry 50031440: Discovery of a novel series of potent S1P1 agonists.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot P21453, Q99500, and Q9H228
DOI: 10.7270/q2j966dt
title: BindingDB Entry 50030461: Eusynstyelamides A, B, and C, nNOS inhibitors, from the ascidian Eusynstyela latericius.

description: Small molecule binding data for protein Nitric-oxide synthase, brain, Uniprot P29476
DOI: 10.7270/q2jd4x7j
title: BindingDB Entry 50034078: Synthesis and biological activity of new bispyridinium salts of 4,4'-bispyridyl-5,5'-perfluoroalkyl-2,2'-bisoxazoles.

description: Small molecule binding data for protein Choline kinase alpha, Uniprot P35790
DOI: 10.7270/q2k35twd
title: BindingDB Entry 50032403: In vivo efficacy of beta-cyclodextrin derivatives against anthrax lethal toxin.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q2kh0npw
title: BindingDB Entry 50033217: Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, C-RAF, CaM kinase I delta, CaM kinase IV, Ceramide kinase, Cyclin-dependent kinase 1, Death-associated protein kinase 3, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 6, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Ephrin receptor, Epidermal growth factor receptor, Fibroblast growth factor receptor 4, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, IKK epsilon/TBK1, Indoleamine 2,3-dioxygenase, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin-like growth factor I receptor, Interleukin-1 receptor-associated kinase 4, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, MAP kinase p38, MAP kinase-activated protein kinase 5, Macrophage-stimulating protein receptor, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase kinase kinase 8, PKC alpha and beta-2, Platelet-derived growth factor receptor, Protein kinase C theta type, Protein kinase N2, Proto-oncogene tyrosine-protein kinase ROS, Receptor tyrosine-protein kinase erbB-4 (HER4), Rho-associated protein kinase, Ribosomal protein S6 kinase (P70S6K), Ribosomal protein S6 kinase alpha 1, Ribosomal protein S6 kinase alpha 5, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase Nek1, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK3, Serine/threonine-protein kinase Sgk1, TAK1/TAB1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase CSK, Tyrosine-protein kinase FER, Tyrosine-protein kinase Fes/Fps, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase Yes, Tyrosine-protein kinase ZAP-70, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), and c-Jun N-terminal kinase, JNK, Uniprot O00141, O14757, O14965, O15111, O43293, O43318, O60674, O75116, O75582, P00519, P00533, P04049, P05771, P06213, P06239, P06241, P06493, P07332, P07947, P07948, P07949, P08069, P08631, P08922, P10721, P11309, P12931, P14902, P16234, P16591, P22455, P23443, P27361, P28482, P29323, P31749, P35968, P36888, P41240, P41279, P43403, P45983, P49841, P51813, P52333, P52564, Q02750, Q02763, Q04759, Q04912, Q05397, Q06187, Q08881, Q13188, Q13627, Q15303, Q15418, Q15759, Q16513, Q16539, Q16566, Q8IU85, Q8IW41, Q8TCT0, Q96PY6, Q9H4B4, Q9NWZ3, and Q9UHD2
DOI: 10.7270/q2mw2h95
title: BindingDB Entry 50031449: SAR of PXR transactivation in benzimidazole-based IGF-1R kinase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A and Insulin-like growth factor I receptor, Uniprot P08069 and P08684
DOI: 10.7270/q2n29x0s
title: BindingDB Entry 50030468: Identification of new Hsp90 inhibitors by structure-based virtual screening.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot P02829
DOI: 10.7270/q2nv9jc3
title: BindingDB Entry 50031439: Azabicyclic sulfonamides as potent 11beta-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q2nz87p2
title: BindingDB Entry 50030460: Structure-based de novo design and biochemical evaluation of novel Cdc25 phosphatase inhibitors.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B and phosphatase Cdc25, Uniprot P30304 and P30305
DOI: 10.7270/q2p55nxd
title: BindingDB Entry 50034077: 1-Aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide: an effective scaffold for the design of either CB1 or CB2 receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2q81ddm
title: BindingDB Entry 50033216: Synthesis and in vivo evaluation of (S)-6-(4-fluorophenoxy)-3-((1-[11C]methylpiperidin-3-yl)methyl)-2-o-tolylquinazolin-4(3H)-one, a potential PET tracer for growth hormone secretagogue receptor (GHSR).

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2qv3mqr
title: BindingDB Entry 50032394: Design and synthesis of prolylcarboxypeptidase (PrCP) inhibitors to validate PrCP as a potential target for obesity.

description: Small molecule binding data for protein Lysosomal Pro-X carboxypeptidase and Prolylcarboxypeptidase (PRCP), Uniprot A0A024R5L0, P42785, and Q7TMR0
DOI: 10.7270/q2rx9cg0
title: BindingDB Entry 50034084: Design, synthesis, docking, and biological evaluation of novel diazide-containing isoxazole- and pyrazole-based histone deacetylase probes.

description: Small molecule binding data for protein Collagenase, Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), Histone deacetylase 8, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot A0A024QZ26, O15379, P03956, P08254, P14780, P50281, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2tm7b93
title: BindingDB Entry 50032401: The Lys234Arg substitution in the enzyme SHV-72 is a determinant for resistance to clavulanic acid inhibition.

description: Small molecule binding data for protein Beta-lactamase and SHV-1 beta-lactamase, Uniprot P0AD64
DOI: 10.7270/q2v1253w
title: BindingDB Entry 50033215: Highly potent 5-aminotetrahydropyrazolopyridines: enantioselective dopamine D3 receptor binding, functional selectivity, and analysis of receptor-ligand interactions.

description: Small molecule binding data for protein Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, and P50130