| Reaction Details |
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 | Report a problem with these data |
| Target | Calcium release-activated calcium channel protein/Stromal interaction molecule 1 |
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| Ligand | BDBM50575335 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2124966 (CHEMBL4834199) |
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| IC50 | 4000±n/a nM |
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| Citation |  Khedkar, NR; Irlapatti, NR; Dadke, D; Kanoje, V; Shaikh, Z; Karche, V; Shinde, V; Deshmukh, G; Patil, A; Jachak, S; Phukan, S; Kizhakinagath, PA; Gholve, M; Bhankhede, T; Daler, J; Nemade, HN; Budhe, S; Pareek, H; Yeshodharan, R; Gupta, R; Kalia, A; Pandey, D; Wagh, A; Kumar, S; Patil, V; Modi, D; Sharma, N; Ahirrao, P; Mehta, M; Kumar, H; Nigade, P; Tamane, K; Mallurwar, S; Kuldharan, S; Pawar, S; Vishwase, G; Bokan, S; Singh, M; Naik, K; Ingawale, S; Shankar, R; Kamalakannan, P; Venugopal, S; George, SK; Padiya, KJ; Nemmani, KVS; Gundu, J; Bhonde, M; Narasimham, L; Sindkhedkar, M; Shah, C; Sinha, N; Sharma, S; Bakhle, D; Kamboj, RK; Palle, VP Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro- J Med Chem64:17004-17030 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Calcium release-activated calcium channel protein/Stromal interaction molecule 1 |
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| Name: | Calcium release-activated calcium channel protein/Stromal interaction molecule 1 |
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| Synonyms: | ORAI1/STIM1 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2024560 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Calcium release-activated calcium channel protein 1 |
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| Synonyms: | CRACM1 | CRCM1_HUMAN | Calcium channel (VER) | Calcium release-activated calcium channel | Calcium release-activated calcium channel protein 1 | ORAI1 | Protein orai-1 | TMEM142A | Transmembrane protein 142A |
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| Type: | Protein |
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| Mol. Mass.: | 32676.63 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q96D31 |
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| Residue: | 301 |
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| Sequence: | MHPEPAPPPSRSSPELPPSGGSTTSGSRRSRRRSGDGEPPGAPPPPPSAVTYPDWIGQSY
SEVMSLNEHSMQALSWRKLYLSRAKLKASSRTSALLSGFAMVAMVEVQLDADHDYPPGLL
IAFSACTTVLVAVHLFALMISTCILPNIEAVSNVHNLNSVKESPHERMHRHIELAWAFST
VIGTLLFLAEVVLLCWVKFLPLKKQPGQPRPTSKPPASGAAANVSTSGITPGQAAAIAST
TIMVPFGLIFIVFAVHFYRSLVSHKTDRQFQELNELAEFARLQDQLDHRGDHPLTPGSHY
A
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| Component 2 |
| Name: | Stromal interaction molecule 1 |
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| Synonyms: | GOK | STIM1 | STIM1_HUMAN | Stromal interaction molecule 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 77425.50 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_118315 |
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| Residue: | 685 |
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| Sequence: | MDVCVRLALWLLWGLLLHQGQSLSHSHSEKATGTSSGANSEESTAAEFCRIDKPLCHSED
EKLSFEAVRNIHKLMDDDANGDVDVEESDEFLREDLNYHDPTVKHSTFHGEDKLISVEDL
WKAWKSSEVYNWTVDEVVQWLITYVELPQYEETFRKLQLSGHAMPRLAVTNTTMTGTVLK
MTDRSHRQKLQLKALDTVLFGPPLLTRHNHLKDFMLVVSIVIGVGGCWFAYIQNRYSKEH
MKKMMKDLEGLHRAEQSLHDLQERLHKAQEEHRTVEVEKVHLEKKLRDEINLAKQEAQRL
KELREGTENERSRQKYAEEELEQVREALRKAEKELESHSSWYAPEALQKWLQLTHEVEVQ
YYNIKKQNAEKQLLVAKEGAEKIKKKRNTLFGTFHVAHSSSLDDVDHKILTAKQALSEVT
AALRERLHRWQQIEILCGFQIVNNPGIHSLVAALNIDPSWMGSTRPNPAHFIMTDDVDDM
DEEIVSPLSMQSPSLQSSVRQRLTEPQHGLGSQRDLTHSDSESSLHMSDRQRVAPKPPQM
SRAADEALNAMTSNGSHRLIEGVHPGSLVEKLPDSPALAKKALLALNHGLDKAHSLMELS
PSAPPGGSPHLDSSRSHSPSSPDPDTPSPVGDSRALQASRNTRIPHLAGKKAVAEEDNGS
IGEETDSSPGRKKFPLKIFKKPLKK
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| BDBM50575335 |
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| n/a |
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| Name | BDBM50575335 |
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| Synonyms: | CHEMBL4570175 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H12F5N3O2 |
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| Mol. Mass. | 397.2988 |
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| SMILES | Oc1ccc(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c(c1)C(F)(F)F |
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| Structure | 
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