DOI: 10.7270/q2nc61nh
title: BindingDB Entry 50034233: Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).

description: Small molecule binding data for protein AKT/p21CIP1, ALK tyrosine kinase receptor, AXL receptor tyrosine kinase, Activin receptor type-1B, Apoptosis Signal-regulating Kinase 1 (ASK1), BR serine/threonine-protein kinase 1, CAMK2B, CDK2/CycE, CDK2/Cyclin A/Cyclin A1, CaM kinase II, Casein Kinase II, Casein kinase I isoform alpha (CK1 Alpha), Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), Cytochrome P450 3A, Death-associated protein kinase 1, Death-associated protein kinase 3, Discoidin domain-containing receptor 2, EPHB1, Ephrin receptor, Ephrin type-A receptor 1 (EPHA1), Ephrin type-A receptor 3 (EPHA3), Ephrin type-B receptor 3 (EPHB3), Ephrin type-B receptor 4 (EphB4), Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, G protein-coupled receptor kinase 5, G protein-coupled receptor kinase 6, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Homeodomain-interacting protein kinase 1, Homeodomain-interacting protein kinase 3, IKK epsilon/TBK1, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin receptor-related protein, Insulin-like growth factor I receptor, Interleukin-1 receptor-associated kinase 1, 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 2, MAP kinase-activated protein kinase 3, MAP kinase-activated protein kinase 5, MAP/microtubule affinity-regulating kinase 2, Macrophage colony stimulating factor receptor, Macrophage-stimulating protein receptor, Misshapen-like kinase 1, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase 9 (MLK1), NUAK family SNF1-like kinase 1, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, PAS domain-containing serine/threonine-protein kinase, PKC alpha and beta-2, PTK2B protein tyrosine kinase 2 beta (PTK2B), Phosphorylase kinase, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Polycystin-2, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C theta type, Protein kinase C, eta, Protein kinase C, gamma, Proto-oncogene tyrosine-protein kinase ROS, Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), 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 4, Ribosomal protein S6 kinase alpha 5, SRC, Serine/threonine protein kinase NLK, Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase 33, Serine/threonine-protein kinase 4 (STK4), Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase D1, Serine/threonine-protein kinase MARK1, Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase Nek3, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PAK6, Serine/threonine-protein kinase PAK7, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, Serine/threonine-protein kinase PLK3, Serine/threonine-protein kinase PRKX, Serine/threonine-protein kinase RIPK2, Serine/threonine-protein kinase Sgk1, Serine/threonine-protein kinase WNK2, Testis-specific serine/threonine-protein kinase 2, Tyrosine-protein kinase ABL, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BRK, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase CSK, Tyrosine-protein kinase FER, Tyrosine-protein kinase Fes/Fps, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, 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, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), c-Jun N-terminal kinase, JNK, cGMP-dependent protein kinase, p21-Activated kinase 2 (PAK2), p21-Activated kinase 3 (PAK3), and p38 delta/gamma, Uniprot A0A024RDK3, L7RSL3, O00141, O14757, O14920, O14965, O15264, O43293, O43353, O60285, O60563, O60674, O75116, O75582, O75676, O75914, O96013, O96017, P00519, P00533, P04629, P05129, P05771, P06213, P06239, P06241, P06493, P07332, P07333, P07947, P07948, P07949, P08069, P08581, P08631, P08684, P08922, P09619, P09769, P11309, P11362, P12931, P14616, P14635, P15735, P16234, P16591, P17252, P17948, P20248, P21709, P21802, P22455, P22607, P23443, P24723, P24864, P24941, P27361, P28482, P29317, P29320, P29323, P30530, P31749, P31751, P34947, P35916, P35968, P36888, P36896, P41240, P42684, P43250, P43403, P43405, P45983, P45984, P48729, P49137, P49841, P50750, P51451, P51617, P51813, P51817, P51956, P52333, P53350, P53355, P53778, P53779, P54753, P54756, P54760, P54762, P54764, P68400, P78396, P80192, Q00535, Q02763, Q04759, Q04912, Q05397, Q05655, Q06187, Q13043, Q13177, Q13188, Q13464, Q13554, Q13557, Q13563, Q13882, Q13976, Q14289, Q15078, Q15118, Q15139, Q15303, Q15418, Q15759, Q16539, Q16620, Q16644, Q16832, Q541P7, Q7KZI7, Q86Z02, Q8IW41, Q8N4C8, Q8TDC3, Q96PF2, Q96RG2, Q99683, Q9BYT3, Q9H422, Q9H4B4, Q9NQU5, Q9NWZ3, Q9NYY3, Q9P0L2, Q9P1W9, Q9P286, Q9UBE8, Q9UEE5, Q9UHD2, Q9UM73, Q9Y243, and Q9Y3S1