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Target
Tyrosine-protein kinase receptor
Ligand
BDBM144311
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
2.3±n/a nM
Citation
 Shimada, I; Kurosawa, K; Matsuya, T; Iikubo, K; Kondoh, Y; Kamikawa, A; Tomiyama, H; Iwai, Y Diamino heterocyclic carboxamide compound US Patent  US8969336 Publication Date 3/3/2015 
Target
Name:
Tyrosine-protein kinase receptor
Synonyms:
EML4 ALK Fusion Protein
Type:
Protein
Mol. Mass.:
87656.33
Organism:
Homo sapiens (Human)
Description:
A9YLN7
Residue:
796
Sequence:
MDGFAGSLDDSISAASTSDVQDRLSALESRVQQQEDEITVLKAALADVLRRLAISEDHVASVKKSVSSKGQPSPRAVIPMSCITNGSGANRKPSHTSAVSIAGKETLSSAAKSGTEKKKEKPQGQREKKEESHSNDQSPQIRASPSPQPSSQPLQIHRQTPESKNATPTKSIKRPSPAEKSHNSWENSDDSRNKLSKIPSTPKLIPKVTKTADKHKDVIINQAKMSTREKNSQVYRRKHQELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAAPPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPTSLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPSSLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP
  
Inhibitor
Name:
BDBM144311
Synonyms:
US8969336, 538
Type:
Small organic molecule
Emp. Form.:
C28H41ClN8O2
Mol. Mass.:
557.131
SMILES:
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)cc1C |r,wU:25.27,wD:22.23,(-12.05,3.88,;-10.72,3.11,;-9.34,3.85,;-8,3.08,;-8,1.54,;-9.34,.77,;-10.67,1.54,;-6.67,.77,;-5.33,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,;5.33,-1.54,;6.67,-.77,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;-1.33,-3.85,;-2.72,-3.11,;-4.05,-3.88,)|
Structure:
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