cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2f76g78
title: BindingDB Entry 50003111: Design and synthesis of potent RSK inhibitors.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Proto-oncogene tyrosine-protein kinase receptor Ret, Ribosomal protein S6 kinase (P70S6K), Ribosomal protein S6 kinase alpha-1/alpha-3, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase receptor FLT3, Tyrosine-protein kinase receptor UFO, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R7T2, A0A384MDW3, O60674, P07949, P11362, P21802, P23443, P23458, P30530, P35968, P36888, and P51812
DOI: 10.7270/q29g5qhj
title: BindingDB Entry 50003112: Discovery of benzothiazole amides as potent antimycobacterial agents.

description: Small molecule binding data for protein Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P08684, P10632, P10635, P11712, P20813, P33261, Q6GRK0, and S5RV20
DOI: 10.7270/q21z473b
title: BindingDB Entry 50003114: Trisubstituted thiazoles as potent and selective inhibitors of Plasmodium falciparum protein kinase G (PfPKG).

description: Small molecule binding data for protein CGMP-dependent protein kinase, Uniprot Q8MMZ4
DOI: 10.7270/q25q4zst
title: BindingDB Entry 50003113: Histidine N(τ)-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, and Serine/threonine-protein kinase PLK3, Uniprot A0A024QZV1, P53350, Q9H4B4, and Q9NYY3
DOI: 10.7270/q2x63qmz
title: BindingDB Entry 50003115: Discovery of the bifunctional modulator of angiotensin II type 1 receptor (AT1R) and PPARγ derived from the AT1R antagonist, Fimasartan.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Angiotensin II receptor, and Peroxisome proliferator-activated receptor, Uniprot P30556, P37231, P40989, and Q53YY0
DOI: 10.7270/q2sf2zvs
title: BindingDB Entry 50003116: Design, synthesis and pharmacological evaluation of N4,N6-disubstituted pyrimidine-4,6-diamine derivatives as potent EGFR inhibitors in non-small cell lung cancer.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533 and P21860
DOI: 10.7270/q2np274v
title: BindingDB Entry 50003117: Synthesis and biological evaluation of novel 5,6-dihydropyrimido[4,5-f]quinazoline derivatives as potent CDK2 inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Cyclin-T1/Cyclin-dependent-like kinase 5, Cyclin-dependent kinase 1, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6, and Cyclin-dependent kinase 7, Uniprot A0A024RB77, A0A024RBB6, A0A090N7W4, A0A0S2Z3F9, P06493, P11802, P20248, P24941, P50613, Q00534, and Q00535
DOI: 10.7270/q2d79f3w
title: BindingDB Entry 50003120: Design, synthesis and identification of novel substituted 2-amino thiazole analogues as potential anti-inflammatory agents targeting 5-lipoxygenase.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P09917
DOI: 10.7270/q2j105tr
title: BindingDB Entry 50003119: The synthesis and kinetic evaluation of aryl α-aminophosphonates as novel inhibitors of T. cruzi trans-sialidase.

description: Small molecule binding data for protein Sialidase, Sialidase A, and Trans-sialidase, Uniprot B8XTT3, P10481, P62575, and Q26964
DOI: 10.7270/q24q7xnf
title: BindingDB Entry 50003122: Discovery of selective urokinase plasminogen activator (uPA) inhibitors as a potential treatment for multiple sclerosis.

description: Small molecule binding data for protein Plasminogen, Tissue-type plasminogen activator, Urokinase-type plasminogen activator (uPA), and Urokinase-type plasminogen activator/surface receptor, Uniprot A0A024QZM9, P00747, P00749, P00750, P06869, P11214, P20918, and Q0VBA8
DOI: 10.7270/q28g8pc5
title: BindingDB Entry 50003121: Role of p53 circuitry in tumorigenesis: A brief review.

description: Small molecule binding data for protein MDM2-MDMX, Uniprot Q00987
DOI: 10.7270/q20z75x3
title: BindingDB Entry 50003123: b-Annulated 1,4-dihydropyridines as Notch inhibitors.

description: Small molecule binding data for protein Neurogenic locus notch homolog protein 1, Uniprot P46531
DOI: 10.7270/q2rf5xqd
title: BindingDB Entry 50003125: Structural alterations based on naproxen scaffold: Synthesis, evaluation of antitumor activity and COX-2 inhibition, and molecular docking.

description: Small molecule binding data for protein Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2w66pf4
title: BindingDB Entry 50003124: Design, synthesis, and biological evaluations of phenylpropiolic acid derivatives as novel GPR40 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2ms3wfv
title: BindingDB Entry 50003126: Novel bisphosphonates with antiresorptive effect in bone mineralization and osteoclastogenesis.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2c82d0h
title: BindingDB Entry 50003129: In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor.

description: Small molecule binding data for protein MDM2-MDMX, Uniprot Q00987
DOI: 10.7270/q2h134qt
title: BindingDB Entry 50003127: Synthesis and antiproliferative activity of 6,7-disubstituted-4-phenoxyquinoline derivatives bearing the 1,8-naphthyridin-2-one moiety.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor, Tyrosine-protein kinase receptor FLT3, and VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Uniprot A0A024R759, P00533, P08581, P09619, P10721, P16234, P35916, P36888, and Q9UM73
DOI: 10.7270/q27h1n8s
title: BindingDB Entry 50003130: Design, synthesis, and biological evaluation of 2-(phenoxyaryl)-3-urea derivatives as novel P2Y

description: Small molecule binding data for protein Purinergic receptor P2Y1, Uniprot P47900
DOI: 10.7270/q23r0wj2
title: BindingDB Entry 50003131: Dual potent ALK and ROS1 inhibitors combating drug-resistant mutants: Synthesis and biological evaluation of aminopyridine-containing diarylaminopyrimidine derivatives.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Epidermal growth factor receptor, and Proto-oncogene tyrosine-protein kinase ROS, Uniprot P00533, P08922, and Q9UM73
DOI: 10.7270/q20004sk
title: BindingDB Entry 50003132: Identification of dual Sigma1 receptor modulators/acetylcholinesterase inhibitors with antioxidant and neurotrophic properties, as neuroprotective agents.

description: Small molecule binding data for protein Acetylcholinesterase, Sigma intracellular receptor 2, and Sigma-1 receptor, Uniprot O42275, Q5U3Y7, and Q60492
DOI: 10.7270/q2v98brh
title: BindingDB Entry 50003133: Advances in diarylpyrimidines and related analogues as HIV-1 nonnucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2qj7m0r
title: BindingDB Entry 50003134: Rationally designed divalent caffeic amides inhibit amyloid-β fibrillization, induce fibril dissociation, and ameliorate cytotoxicity.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2ks6v81
title: BindingDB Entry 50003135: Piperidinyl-embeded chalcones possessing anti PI3Kδ inhibitory properties exhibit anti-atopic properties in preclinical models.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphoinositide 3-Kinase (PI3K), delta, p110α/p85α, and p110β/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q2g163j0
title: BindingDB Entry 50003136: Pyrazolo[4,3-b]pyrimido[4,5-e][1,4]diazepine derivatives as new multi-targeted inhibitors of Aurora A/B and KDR.

description: Small molecule binding data for protein Aurora kinase A/Targeting protein for Xklp2, Aurora kinase B, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O14965, P35968, and Q96GD4
DOI: 10.7270/q26h4m3z
title: BindingDB Entry 50003138: Donepezil-based multi-functional cholinesterase inhibitors for treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, Beta-secretase (BACE), Cholinesterase, Cholinesterases; ACHE & BCHE, and Monoamine oxidase, Uniprot A0A024R3D7, O42275, P19643, P21396, P21397, P22303, P27338, P56817, P81908, and Q53YE7
DOI: 10.7270/q2b85bt8
title: BindingDB Entry 50003137: Branched pentapeptides as potent inhibitors of the vascular endothelial growth factor 165 binding to Neuropilin-1: Design, synthesis and biological activity.

description: Small molecule binding data for protein Neuropilin-1, Uniprot O14786 and Q9QWJ9
DOI: 10.7270/q2tb19k7
title: BindingDB Entry 50003141: Novel amide derivatives of 1,3-dimethyl-2,6-dioxopurin-7-yl-alkylcarboxylic acids as multifunctional TRPA1 antagonists and PDE4/7 inhibitors: A new approach for the treatment of pain.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343, Q13946, and X5DNX5
DOI: 10.7270/q2z3229z
title: BindingDB Entry 50003140: Design and synthesis of potent dual inhibitors of JAK2 and HDAC based on fusing the pharmacophores of XL019 and vorinostat.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Histone deacetylase 6, Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot A0A024QZ26, A0A024R7E4, A0A024R7M7, O60674, P23458, P29597, P52333, Q13547, Q6IT96, and Q9UBN7
DOI: 10.7270/q2pk0jvh
title: BindingDB Entry 50003145: Synthesis, biological evaluation and structure-activity relationship of a novel class of PI3Kα H1047R mutant inhibitors.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, and P48736
DOI: 10.7270/q2f192dm
title: BindingDB Entry 50003148: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, Beta-secretase (BACE), and Cholinesterases; ACHE & BCHE, Uniprot A0A024R3D7, P06276, P21397, P22303, P27338, P56817, and Q53YE7
DOI: 10.7270/q2js9t4n
title: BindingDB Entry 50003146: Discovery of furyl/thienyl β-carboline derivatives as potent and selective PDE5 inhibitors with excellent vasorelaxant effect.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, Homo sapiens phosphodiesterase 2A (PDE2A), Phosphodiesterase 11A, Phosphodiesterase 3 and 5 (PDE3 and PDE5), Phosphodiesterase 4 and 5 (PDE4 and PDE5), Phosphodiesterase 5A, Phosphodiesterase 8, and cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot A0A0S2Z4T6, A0A1B1UZR0, O00408, O54735, O60658, O76074, O76083, P27815, P51160, P54750, Q13370, Q13946, Q9HCR9, and Q9Y233
DOI: 10.7270/q29889pw
title: BindingDB Entry 50003149: One-pot, multi-component synthesis and structure-activity relationships of peptoid-based histone deacetylase (HDAC) inhibitors targeting malaria parasites.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1 and Histone deacetylase 6, Uniprot A0A024QZ26, Q13547, Q6IT96, and Q9UBN7
DOI: 10.7270/q21v5hn5
title: BindingDB Entry 50003151: Discovery of potent liver-selective stearoyl-CoA desaturase-1 (SCD1) inhibitors, thiazole-4-acetic acid derivatives, for the treatment of diabetes, hepatic steatosis, and obesity.

description: Small molecule binding data for protein Acyl-CoA desaturase 1, Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Fatty acid desaturase 1, Stearoyl-CoA desaturase 1, and Stearoyl-CoA desaturase 1 (SCD1), Uniprot C1ID52, O00767, O60427, P05177, P07308, P08684, P10635, P11509, P11712, P13516, P33261, Q547C4, Q6GRK0, and S5RV20
DOI: 10.7270/q25h7jz5
title: BindingDB Entry 50003150: Exploration of novel pyrrolo[2,1-f][1,2,4]triazine derivatives with improved anticancer efficacy as dual inhibitors of c-Met/VEGFR-2.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R759, P08581, and P35968
DOI: 10.7270/q2x3515k
title: BindingDB Entry 50003152: Discovery of potent and selective Spleen Tyrosine Kinase inhibitors for the topical treatment of inflammatory skin disease.

description: Small molecule binding data for protein Aurora B/Incenp, Aurora kinase A/Targeting protein for Xklp2, Axin-1/Glycogen synthase kinase-3 beta, Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), SRC, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R244, A0A0S2Z3Y8, O14965, O60674, P06239, P35968, P43405, P49841, Q5S007, Q6FI27, Q96GD4, and Q9NQS7
DOI: 10.7270/q2nk3hq4
title: BindingDB Entry 50003154: Targeting heme Oxygenase-1 with hybrid compounds to overcome Imatinib resistance in chronic myeloid leukemia cell lines.

description: Small molecule binding data for protein Heme oxygenase 1, Uniprot P06762
DOI: 10.7270/q2sb48fv
title: BindingDB Entry 50003153: The development of piperidinones as potent MDM2-P53 protein-protein interaction inhibitors for cancer therapy.

description: Small molecule binding data for protein MDM2-MDMX, Uniprot Q00987
DOI: 10.7270/q2ht2s18
title: BindingDB Entry 50003155: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment.

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase Src, Uniprot P12931
DOI: 10.7270/q24m977h
title: BindingDB Entry 50003158: Dichloroacetophenones targeting at pyruvate dehydrogenase kinase 1 with improved selectivity and antiproliferative activity: Synthesis and structure-activity relationships.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Uniprot Q15118
DOI: 10.7270/q2d22197
title: BindingDB Entry 50003156: Pyrrolidine nucleoside bisphosphonates as antituberculosis agents targeting hypoxanthine-guanine phosphoribosyltransferase.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase and Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), Uniprot A0A140VJL3, P00492, and P9WHQ9
DOI: 10.7270/q2w38016
title: BindingDB Entry 50003161: Design, synthesis, and evaluation of carboxyl-modified oseltamivir derivatives with improved lipophilicity as neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2rb779g
title: BindingDB Entry 50003162: Design, synthesis and biological evaluation of (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-aryltetrahydro-2H-pyran-3,4-diols as potent and orally active SGLT dual inhibitors.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 and Sodium/glucose cotransporter 2, Uniprot P13866, P31639, P53790, and P53792
DOI: 10.7270/q20v8ghs
title: BindingDB Entry 50003160: Clickable photoaffinity ligands for the human serotonin transporter based on the selective serotonin reuptake inhibitor (S)-citalopram.

description: Small molecule binding data for protein Sodium-dependent serotonin transporter, Uniprot P31645
DOI: 10.7270/q2mk6gkr
title: BindingDB Entry 50003163: Discovery of RG7834: The First-in-Class Selective and Orally Available Small Molecule Hepatitis B Virus Expression Inhibitor with Novel Mechanism of Action.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P08684, P10635, P11712, Q6GRK0, and S5RV20
DOI: 10.7270/q2gt5qv1
title: BindingDB Entry 50003164: Synthesis, molecular docking and inhibition studies of novel 3-N-aryl substituted-2-heteroarylchromones targeting microtubule affinity regulating kinase 4 inhibitors.

description: Small molecule binding data for protein MAP/microtubule affinity-regulating kinase 4, Uniprot Q96L34
DOI: 10.7270/q27d2xtm
title: BindingDB Entry 50003166: Design, synthesis, and biological evaluation of novel pan agonists of FFA1, PPARγ and PPARδ.

description: Small molecule binding data for protein Free fatty acid receptor 1 and Peroxisome proliferator-activated receptor, Uniprot A0A024RCW6, F1D8S4, O14842, P37231, Q03181, and Q07869
DOI: 10.7270/q2c2504d
title: BindingDB Entry 50003165: Activity-guided development of potent and selective toll-like receptor 9 antagonists.

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 9, Uniprot B2R9N9, Q9NR96, and Q9NYK1
DOI: 10.7270/q28918kh
title: BindingDB Entry 50003157: Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids.

description: Small molecule binding data for protein D-amino-acid oxidase, Uniprot A0A024RBI1 and P14920
DOI: 10.7270/q2zw1pm0
title: BindingDB Entry 50003169: Discovery and biological evaluation of thiobarbituric derivatives as potent p300/CBP inhibitors.

description: Small molecule binding data for protein CREB-binding protein/Histone acetyltransferase p300, HIF1A/p300/CREB-binding protein, Histone acetyltransferase GCN5, Histone acetyltransferase KAT2A/KAT2B, Histone acetyltransferase KAT5, and Histone acetyltransferase KAT8, Uniprot A0A024R597, Q09472, Q245K9, Q92793, Q92830, Q92831, Q92993, and Q9H7Z6
DOI: 10.7270/q2qc0663
title: BindingDB Entry 50003171: Identification of inhibitors of the E. coli chaperone SurA using in silico and in vitro techniques.

description: Small molecule binding data for protein Chaperone SurA, Uniprot A0A4S5B5P7 and P0ABZ6
DOI: 10.7270/q2kk9fgt
title: BindingDB Entry 50003172: Antifungal benzo[b]thiophene 1,1-dioxide IMPDH inhibitors exhibit pan-assay interference (PAINS) profiles.

description: Small molecule binding data for protein Inosine-5'-monophosphate dehydrogenase, Inosine-5'-monophosphate dehydrogenase (IMPDH), and Lanosterol synthase, Uniprot A0A384N6C2, P12268, P48449, and Q5KP44
DOI: 10.7270/q2ft8pqn
title: BindingDB Entry 50003173: Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterases; ACHE & BCHE, Uniprot P22303, Q6A2E2, and Q869C3
DOI: 10.7270/q23n263p
title: BindingDB Entry 50003168: Hybrid compounds from chalcone and 1,2-benzothiazine pharmacophores as selective inhibitors of alkaline phosphatase isozymes.

description: Small molecule binding data for protein Alkaline phosphatase, tissue-nonspecific isozyme and Intestinal alkaline phosphatase, Uniprot A0A024R4A2, A0A024RAB4, P05186, and P09923
DOI: 10.7270/q2v40xwk
title: BindingDB Entry 50003170: Discovery of a potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor (TP0438836) for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 and Sodium/glucose cotransporter 2, Uniprot P13866 and P31639
DOI: 10.7270/q2b56nfd
title: BindingDB Entry 50003174: Design, synthesis, cholinesterase inhibition and molecular modelling study of novel tacrine hybrids with carbohydrate derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase, Uniprot P21836, Q03311, and Q543Z1
DOI: 10.7270/q2xw4nh2
title: BindingDB Entry 50003178: NLRP3 Modulators for the Treatment of Autoinflammatory Disorders.

description: Small molecule binding data for protein NLRP3 protein, Toll-like receptor 7, and Toll-like receptor 8, Uniprot B2R9N9, Q96P20, Q9NR97, and Q9NYK1
DOI: 10.7270/q2t43wsn
title: BindingDB Entry 50003179: New Dopamine D3-Selective Receptor Ligands Containing a 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol Motif.

description: Small molecule binding data for protein D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, and Dopamine D1 and D2 receptor, Uniprot A0A024R3C5, P14416, P21728, P21917, and P35462
DOI: 10.7270/q2pc352q
title: BindingDB Entry 50003181: Synthesis and Evaluation of Aryl Quinolines as HIV-1 Integrase Multimerization Inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2jm2db0
title: BindingDB Entry 50003183: Synthesis and Biological Evaluation of an Indazole-Based Selective Protein Arginine Deiminase 4 (PAD4) Inhibitor.

description: Small molecule binding data for protein protein-arginine deiminase type-4, Uniprot Q9UM07
DOI: 10.7270/q2dz0c0j
title: BindingDB Entry 50003184: Exploring Halogen Bonds in 5-Hydroxytryptamine 2B Receptor-Ligand Interactions.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2B, Uniprot P41595
DOI: 10.7270/q2959m8k
title: BindingDB Entry 50003185: Famotidine, an Antiulcer Agent, Strongly Inhibits

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 13 (CA XIII), Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase V, and Carbonic anhydrases; II & IX, Uniprot A0A024RBW9, A0A0S2Z3D0, A8K3J4, O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q8N1Q1, Q9ULX7, Q9Y2D0, V9HW21, V9HWA3, and V9HWE3
DOI: 10.7270/q25d8vjv
title: BindingDB Entry 50003186: Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Receptor-interacting serine/threonine-protein kinase 2, and Serine/threonine-protein kinase RIPK2, Uniprot A0A0S2Z4Z8, G3V783, O43353, and P40989
DOI: 10.7270/q26d5wqp
title: BindingDB Entry 50003175: Genetically-encoded fragment-based discovery of glycopeptide ligands for DC-SIGN.

description: Small molecule binding data for protein CD209 antigen, Uniprot Q9NNX6
DOI: 10.7270/q21n83th
title: BindingDB Entry 50003189: Tuning the Dual Inhibition of Carbonic Anhydrase and Cyclooxygenase by Dihydrothiazole Benzensulfonamides.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrases; II & IX, Cyclooxygenase, and Prostaglandin E synthase/G/H synthase 2, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, P23219, P35354, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2ww7mcp
title: BindingDB Entry 50003190: Development of Hybrid Phospholipid Mimics as Effective Agonists for Liver Receptor Homologue-1.

description: Small molecule binding data for protein Liver Receptor Homolog 1, Uniprot O00482