lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(N2CCc3ncnc(NCc4ccc(C(F)(F)F)nc4)c3C2)c(C#N)c1
InChIKey: NMFJPJCALUOMRM-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 92 nM (pChEMBL 7.039999961853027)
Descriptors: MW 424.43, ALogP 4.25, HBA 6, HBD 1, PSA 77.73, QED 0.67
Compound (SMILES): N#Cc1cc(Cl)ccc1N1CCc2ncnc(NCc3ccc(C(F)(F)F)nc3)c2C1
InChIKey: YSDMEQRYDFBWMF-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 842 nM (pChEMBL 6.079999923706055)
Descriptors: MW 444.85, ALogP 4.59, HBA 6, HBD 1, PSA 77.73, QED 0.63
Compound (SMILES): C[C@@H](Nc1ncnc2c1CN(c1ccc(Br)cc1C#N)CC2)c1ccc(C(F)(F)F)nc1
InChIKey: OMDXBHIZMDEQDL-CYBMUJFWSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 455 nM (pChEMBL 6.340000152587891)
Descriptors: MW 503.33, ALogP 5.26, HBA 6, HBD 1, PSA 77.73, QED 0.52
Compound (SMILES): Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(C(F)(F)F)nc4)c3C2)c(C#N)c1
InChIKey: SBBMJIATEIOEIQ-OAHLLOKOSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 438.46, ALogP 4.81, HBA 6, HBD 1, PSA 77.73, QED 0.63
Compound (SMILES): C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cc1C#N)CC2)c1ccc(C(F)(F)F)nc1
InChIKey: ZBNNSVNQQSLELF-CYBMUJFWSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 383 nM (pChEMBL 6.420000076293945)
Descriptors: MW 458.88, ALogP 5.15, HBA 6, HBD 1, PSA 77.73, QED 0.58
Compound (SMILES): N#Cc1cc(F)ccc1N1CCc2ncnc(NCc3ccc(C(F)(F)F)nc3)c2C1
InChIKey: DUSNKKLMFUTVFU-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 11432 nM (pChEMBL 4.940000057220459)
Descriptors: MW 428.39, ALogP 4.08, HBA 6, HBD 1, PSA 77.73, QED 0.63
Compound (SMILES): N#Cc1ccccc1N1CCc2ncnc(NCc3ccc(C(F)(F)F)nc3)c2C1
InChIKey: QIIBVCTYHAWSQM-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 1814 nM (pChEMBL 5.739999771118164)
Descriptors: MW 410.4, ALogP 3.94, HBA 6, HBD 1, PSA 77.73, QED 0.7
Compound (SMILES): Cc1nc(C(F)(F)F)ccc1CNc1ncnc2c1CN(c1ccc(Cl)cc1C#N)CC2
InChIKey: AZBUVFQGOUWUQA-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 458.88, ALogP 4.9, HBA 6, HBD 1, PSA 77.73, QED 0.6
Compound (SMILES): CN(C)c1ccc(CNc2ncnc3c2CN(c2ccc(Cl)cc2C#N)CC3)cn1
InChIKey: LHUYOPDVSCBYGR-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 1190 nM (pChEMBL 5.920000076293945)
Descriptors: MW 419.92, ALogP 3.64, HBA 7, HBD 1, PSA 80.97, QED 0.68
Compound (SMILES): COc1ccc(CNc2ncnc3c2CN(c2ccc(Cl)cc2C#N)CC3)cn1
InChIKey: DFGOJQUEWDGMKI-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 169 nM (pChEMBL 6.769999980926514)
Descriptors: MW 406.88, ALogP 3.58, HBA 7, HBD 1, PSA 86.96, QED 0.69
Compound (SMILES): COc1ccc(CNc2ncnc3c2CN(c2ccc(Br)cc2C#N)CC3)cn1
InChIKey: VFJLLZUKLXBDGQ-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 325 nM (pChEMBL 6.489999771118164)
Descriptors: MW 451.33, ALogP 3.69, HBA 7, HBD 1, PSA 86.96, QED 0.63
Compound (SMILES): COc1ccc(CNc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1
InChIKey: RVOHPYXQEZNVMH-UHFFFAOYSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cells assessed as inhibition of alpha,beta-meATP/ATP-induced calcium influx by Fluo-4 dye based FLIPR assay
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 386.46, ALogP 3.24, HBA 7, HBD 1, PSA 86.96, QED 0.72
Compound (SMILES): CCCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3)ccc21.Cl.Cl.Cl
InChIKey: FUBHWJMCZYBNRU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 529.69, ALogP 4.74, HBA 6, HBD 0, PSA 78.87, QED 0.25
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(CC)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3)ccc21.Cl.Cl.Cl
InChIKey: YPNIOZIAGGOMAW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 529.69, ALogP 4.74, HBA 6, HBD 0, PSA 78.87, QED 0.25
Compound (SMILES): CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3)ccc21.Cl.Cl.Cl
InChIKey: IJNASTIDRONSQX-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 501.63, ALogP 3.96, HBA 6, HBD 0, PSA 78.87, QED 0.31
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccncc3)ccc21.Cl.Cl
InChIKey: QCALWHVVQFDVCG-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 581.72, ALogP 4.72, HBA 7, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccncc3)ccc21.Cl.Cl
InChIKey: YSYOYMXDOKCTDM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 571.68, ALogP 4.32, HBA 8, HBD 0, PSA 101.12, QED 0.2
Compound (SMILES): CN(CCN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)Cc1ccncc1)C(=O)c1ccccc1.Cl.Cl
InChIKey: KJMBLIYINJNYGO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 2150 nM (pChEMBL 5.670000076293945)
Descriptors: MW 557.7, ALogP 4.09, HBA 6, HBD 0, PSA 86.29, QED 0.26
Compound (SMILES): Cc1ccccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)CCc1cccnc1.Cl.Cl
InChIKey: HKJKUNDSZREHRQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 514.67, ALogP 4.87, HBA 5, HBD 0, PSA 65.98, QED 0.29
Compound (SMILES): CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccnc4ccccc34)ccc21.Cl.Cl.Cl
InChIKey: VGQAWTWLDNYFHF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 551.69, ALogP 5.11, HBA 6, HBD 0, PSA 78.87, QED 0.2
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3C)ccc21.Cl.Cl.Cl
InChIKey: BZZNGQXPAACLLS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 970 nM (pChEMBL 6.010000228881836)
Descriptors: MW 529.69, ALogP 4.65, HBA 6, HBD 0, PSA 78.87, QED 0.27
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3c(=O)ccc4ccccc43)Cc3ccncc3)ccc21
InChIKey: WOOQITHNVSFGKK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 920 nM (pChEMBL 6.039999961853027)
Descriptors: MW 581.72, ALogP 4.72, HBA 7, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccsc4c3=O)Cc3ccncc3)ccc21
InChIKey: FBMPLKHXFQTJNM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 5100 nM (pChEMBL 5.289999961853027)
Descriptors: MW 587.75, ALogP 4.78, HBA 8, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccc(C#N)cc3)ccc21
InChIKey: MGRLWDRGBXQTMU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 605.74, ALogP 5.2, HBA 7, HBD 0, PSA 98.88, QED 0.17
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccsc3)ccc21
InChIKey: KYZSDKSHODHMRD-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 586.76, ALogP 5.39, HBA 7, HBD 0, PSA 75.09, QED 0.17
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccco3)ccc21
InChIKey: BORCZNYMAGQEGS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 570.69, ALogP 4.92, HBA 7, HBD 0, PSA 88.23, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3)ccc21
InChIKey: NYSHIPDVLVFILL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 514.67, ALogP 4.95, HBA 5, HBD 0, PSA 65.98, QED 0.27
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3cccc(C#N)c3)ccc21
InChIKey: OXMXIXOKIIPOHL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 690 nM (pChEMBL 6.159999847412109)
Descriptors: MW 539.68, ALogP 4.82, HBA 6, HBD 0, PSA 89.77, QED 0.26
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3-c3cccnc3)ccc21
InChIKey: HUIYSGLQEYEPFI-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 591.76, ALogP 6.01, HBA 6, HBD 0, PSA 78.87, QED 0.15
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C#N)cc3)ccc21
InChIKey: UVMFWOKHXJEFRH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 595.7, ALogP 4.79, HBA 8, HBD 0, PSA 112.02, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C(F)(F)F)cc3)ccc21
InChIKey: ALRMPHHZEVRXDO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 638.69, ALogP 5.94, HBA 7, HBD 0, PSA 88.23, QED 0.15
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccccc3C)ccc21
InChIKey: PZCYDKAVVVBKMA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 584.72, ALogP 5.23, HBA 7, HBD 0, PSA 88.23, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3cccs3)ccc21
InChIKey: QEBMMPNMOSIUKC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 980 nM (pChEMBL 6.010000228881836)
Descriptors: MW 576.72, ALogP 4.98, HBA 8, HBD 0, PSA 88.23, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3ccncc3)ccc21.Cl.Cl
InChIKey: IZBBPKRHWWFHSH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 3200 nM (pChEMBL 5.5)
Descriptors: MW 585.71, ALogP 4.62, HBA 8, HBD 0, PSA 101.12, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3)ccc21
InChIKey: CVPXSNZJVBVYFQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 571.68, ALogP 4.32, HBA 8, HBD 0, PSA 101.12, QED 0.2
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4sccc4c3=O)Cc3cccnc3)ccc21
InChIKey: CHQGILRQWLEPAK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 587.75, ALogP 4.78, HBA 8, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3cnccc3C)ccc21
InChIKey: DKGJAPVNCYKUEE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 599.73, ALogP 4.93, HBA 8, HBD 0, PSA 101.12, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3C)ccc21
InChIKey: HKOFDZHMCAXCDS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 585.71, ALogP 4.62, HBA 8, HBD 0, PSA 101.12, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cnccc3C)ccc21
InChIKey: ARVVRGOQCPEOLW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 585.71, ALogP 4.62, HBA 8, HBD 0, PSA 101.12, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4sccc4c3=O)Cc3cccnc3C)ccc21
InChIKey: CBJBDCXJQSNMSZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 601.77, ALogP 5.09, HBA 8, HBD 0, PSA 87.98, QED 0.18
Compound (SMILES): CCCc1ncccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2CC)CCn1ccc2oc(C)cc2c1=O.Cl.Cl
InChIKey: CDVFXKNCNBTLGA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 627.79, ALogP 5.58, HBA 8, HBD 0, PSA 101.12, QED 0.14
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)S(=O)(=O)c3ccccc3)ccc21.Cl
InChIKey: NSPWCRPDGWVQPY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 564.71, ALogP 4.14, HBA 6, HBD 0, PSA 100.12, QED 0.26
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3ccc(C)nc3C)ccc21.Cl.Cl
InChIKey: JYARMIMOJHILNZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 599.73, ALogP 4.93, HBA 8, HBD 0, PSA 101.12, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)C(=O)c3ccccc3)ccc21.Cl
InChIKey: GCLFKWPLPHFPAN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 8400 nM (pChEMBL 5.079999923706055)
Descriptors: MW 528.65, ALogP 4.59, HBA 5, HBD 0, PSA 83.05, QED 0.28
Compound (SMILES): CNc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1
InChIKey: HZKAPKKKJAJPQR-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 59000 nM (pChEMBL 4.230000019073486)
Descriptors: MW 423.45, ALogP 3.08, HBA 7, HBD 4, PSA 138.59, QED 0.29
Compound (SMILES): O=C(O)C1C(c2c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc23)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
InChIKey: NYRAATDDHGRRNZ-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 587.02, ALogP 5.64, HBA 6, HBD 4, PSA 128.2, QED 0.17
Compound (SMILES): O=C(O)C1CC23C(Cl)C(Cl)C(Cl)C(Cl)C2(CC1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl
InChIKey: PRQKLNWDZMXELK-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 643.13, ALogP 6.2, HBA 6, HBD 4, PSA 128.2, QED 0.15
Compound (SMILES): O=C(O)c1ccccc1-c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12
InChIKey: QCGYJIWVJKJCCH-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 364.31, ALogP 3.38, HBA 6, HBD 4, PSA 128.2, QED 0.32
Compound (SMILES): O=C1C=CC2C(=C1O)Oc1c(ccc(O)c1O)/C2=C\C=C(O)O
InChIKey: CWBYMLFZPXXIAI-CLTKARDFSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 316.27, ALogP 2.36, HBA 7, HBD 5, PSA 127.45, QED 0.4
Compound (SMILES): Cc1cc(N)c2cc(CC(=O)C(C)(C)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
InChIKey: KTDMFTWEWVZLMJ-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 74000 nM (pChEMBL 4.130000114440918)
Descriptors: MW 441.54, ALogP 4.34, HBA 6, HBD 3, PSA 123.99, QED 0.4
Compound (SMILES): Ic1ccc2c(c1)N(c1ccccc1)c1cc(Nc3ccc4c(c3)N(c3ccccc3)c3cc(I)ccc3N4)ccc1N2
InChIKey: FEZOTOKVPNJSPX-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 781.44, ALogP 11.69, HBA 5, HBD 3, PSA 42.57, QED 0.16
Compound (SMILES): CCc1cc2c(c3ccc(C(=O)CBr)cc13)CCCC2
InChIKey: RPZCQYBKVFZDLR-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 331.25, ALogP 4.86, HBA 1, HBD 0, PSA 17.07, QED 0.58
Compound (SMILES): Cc1cc(N)c2ccc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)cc2n1
InChIKey: HMEOCCVJPIDHBU-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 372.43, ALogP 4.21, HBA 5, HBD 4, PSA 118.95, QED 0.42
Compound (SMILES): O=C(O)C1C2C=CC(C2)C1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12
InChIKey: LGWWQMQBPJNCFQ-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 30000 nM (pChEMBL 4.519999980926514)
Descriptors: MW 380.35, ALogP 3, HBA 6, HBD 4, PSA 128.2, QED 0.31
Compound (SMILES): O=C(O)C1CC=CCC1c1c2ccc(=O)c(O)c-2oc2cc(O)ccc12
InChIKey: BAKPKHOMBCGIMC-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 352.34, ALogP 3.44, HBA 5, HBD 3, PSA 107.97, QED 0.48
Compound (SMILES): CC1C2C=CC1C(c1c3ccc(=O)cc-3oc3cc(O)ccc13)C2C(=O)O
InChIKey: RKDKSNZPPNIPBB-UHFFFAOYSA-N
Target: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P59768
Assay: Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown origin) incubated for 1 hr by phage ELISA
Measurement: IC50 = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 362.38, ALogP 3.84, HBA 4, HBD 2, PSA 87.74, QED 0.53
Compound (SMILES): Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4ccccc4Cl)s3)cc2o1
InChIKey: GOPUDJORJSHVES-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 403.29, ALogP 6.42, HBA 4, HBD 1, PSA 55.13, QED 0.43
Compound (SMILES): Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4ccccc4F)s3)cc2o1
InChIKey: DKYBVDJELINRIP-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 386.84, ALogP 5.91, HBA 4, HBD 1, PSA 55.13, QED 0.48
Compound (SMILES): Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)cc2o1
InChIKey: DXOBPHUQIBOKHF-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 404.83, ALogP 6.05, HBA 4, HBD 1, PSA 55.13, QED 0.45
Compound (SMILES): Cc1cc2scnc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIKey: LWIUQSIQOBEIHH-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 386.45, ALogP 5.86, HBA 4, HBD 1, PSA 41.99, QED 0.48
Compound (SMILES): Cc1cc2scnc2cc1-c1ccc(C(=O)Nc2ccccc2F)s1
InChIKey: RDEJYXRFEBACJU-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 368.46, ALogP 5.72, HBA 4, HBD 1, PSA 41.99, QED 0.5
Compound (SMILES): Cc1cc2scnc2cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1
InChIKey: FDNBETUOBSTQCR-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 384.91, ALogP 6.24, HBA 4, HBD 1, PSA 41.99, QED 0.45
Compound (SMILES): O=C(Nc1c(F)cccc1F)c1ccc(-c2cc3scnc3cc2Cl)s1
InChIKey: BPMPEFMAQOLROE-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 406.87, ALogP 6.21, HBA 4, HBD 1, PSA 41.99, QED 0.44
Compound (SMILES): O=C(Nc1ccccc1Cl)c1ccc(-c2cc3scnc3cc2Cl)s1
InChIKey: IZJNQHNFNWKYND-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 405.33, ALogP 6.58, HBA 4, HBD 1, PSA 41.99, QED 0.42
Compound (SMILES): O=C(Nc1ccccc1F)c1ccc(-c2cc3scnc3cc2Cl)s1
InChIKey: GAWNHZKICVYPFO-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 388.88, ALogP 6.07, HBA 4, HBD 1, PSA 41.99, QED 0.46
Compound (SMILES): Cc1cc2c(C)noc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIKey: GFHBVTGLYOESLW-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 384.41, ALogP 5.7, HBA 4, HBD 1, PSA 55.13, QED 0.49
Compound (SMILES): Cc1cc2c(C)noc2cc1-c1ccc(C(=O)Nc2ccccc2F)s1
InChIKey: GEWKCEAVMAIXAJ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 366.42, ALogP 5.56, HBA 4, HBD 1, PSA 55.13, QED 0.52
Compound (SMILES): Cc1cc2cnn(C)c2cc1-c1ccc(C(=O)Nc2ccccc2F)s1
InChIKey: ZNPKKPWHPIOPCQ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 365.43, ALogP 5, HBA 4, HBD 1, PSA 46.92, QED 0.56
Compound (SMILES): Cc1cc2cn(C)nc2cc1-c1ccc(C(=O)Nc2ccccc2F)s1
InChIKey: WLQSDYBZGDXMQL-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 365.43, ALogP 5, HBA 4, HBD 1, PSA 46.92, QED 0.56
Compound (SMILES): Cc1cc2cn(C)nc2cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1
InChIKey: QMHJZOAUIUNANF-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 381.89, ALogP 5.52, HBA 4, HBD 1, PSA 46.92, QED 0.51
Compound (SMILES): Cc1cc2cn(C)nc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIKey: BPNYLSZRIKTIGX-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96D31
Assay: Inhibition of recombinant human STIM1/Orai1 expressed in HEK293 cells assessed as inhibition of peak basal signal after 30 mins by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 383.42, ALogP 5.14, HBA 4, HBD 1, PSA 46.92, QED 0.53
Compound (SMILES): Cc1nc(-c2cc(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)n(C)n2)no1
InChIKey: JEUFZNLGKWYQKO-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96D31
Assay: Inhibition of recombinant human STIM1/Orai1 expressed in HEK293 cells assessed as inhibition of peak basal signal after 30 mins by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 401.4, ALogP 4.04, HBA 7, HBD 1, PSA 85.84, QED 0.56
Compound (SMILES): Cc1nc(-c2cc(-c3ccc(C(=O)Nc4ccccc4F)s3)n(C)n2)no1
InChIKey: XUVJIRAOAVAXRJ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 383.41, ALogP 3.9, HBA 7, HBD 1, PSA 85.84, QED 0.58
Compound (SMILES): Cc1nc(-c2cc(-c3cnc(NC(=O)c4ccccc4Cl)s3)n(C)n2)no1
InChIKey: VWHRXGKFGZESHL-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96D31
Assay: Inhibition of recombinant human STIM1/Orai1 expressed in HEK293 cells assessed as inhibition of peak basal signal after 30 mins by fluo4-AM dye-based FLIPR assay
Measurement: IC50 > 1200 nM (pChEMBL 5.921000003814697)
Descriptors: MW 400.85, ALogP 3.81, HBA 8, HBD 1, PSA 98.73, QED 0.56
Compound (SMILES): Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4Cl)s3)cc2o1
InChIKey: IHGGCZBQXGPQNY-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 404.28, ALogP 5.82, HBA 5, HBD 1, PSA 68.02, QED 0.47
Compound (SMILES): Cc1cc2scnc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIKey: OOAARYDDNHOJTD-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 387.44, ALogP 5.26, HBA 5, HBD 1, PSA 54.88, QED 0.52
Compound (SMILES): Cn1c(-c2cnc(NC(=O)c3ccccc3Cl)s2)cc2ccccc21
InChIKey: AKZPSPKIPWUYBC-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 367.86, ALogP 5.21, HBA 4, HBD 1, PSA 46.92, QED 0.54
Compound (SMILES): CCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIKey: MURDVKZEODMGPZ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 400.81, ALogP 4.95, HBA 5, HBD 1, PSA 59.81, QED 0.67
Compound (SMILES): CC(C)n1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIKey: BTEBBJDACLZGME-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 414.84, ALogP 5.51, HBA 5, HBD 1, PSA 59.81, QED 0.61
Compound (SMILES): Cc1ccccc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIKey: JCKHGGUFNSCJBF-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 366.37, ALogP 4.12, HBA 5, HBD 1, PSA 59.81, QED 0.76
Compound (SMILES): Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIKey: WBPIRBLCLZUSKQ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 386.79, ALogP 4.47, HBA 5, HBD 1, PSA 59.81, QED 0.72
Compound (SMILES): Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIKey: AUYRYTZDJKXZCJ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 388.32, ALogP 4.09, HBA 5, HBD 1, PSA 59.81, QED 0.69
Compound (SMILES): Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1
InChIKey: BOGAABAGZRMKTO-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 > 1200 nM (pChEMBL 5.921000003814697)
Descriptors: MW 386.79, ALogP 4.47, HBA 5, HBD 1, PSA 59.81, QED 0.72
Compound (SMILES): Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2c(F)cccc2F)cc1N
InChIKey: RRFKGNBUEHCQIF-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96D31
Assay: Inhibition of recombinant human STIM1/Orai1 expressed in HEK293 cells assessed as inhibition of peak basal signal after 30 mins by fluo4-AM dye-based FLIPR assay
Measurement: IC50 > 1200 nM (pChEMBL 5.921000003814697)
Descriptors: MW 402.35, ALogP 4.28, HBA 5, HBD 2, PSA 72.94, QED 0.64
Compound (SMILES): Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1N
InChIKey: HRRGZRVYQOLKBI-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 384.36, ALogP 4.14, HBA 5, HBD 2, PSA 72.94, QED 0.67
Compound (SMILES): Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1N
InChIKey: GZRDMKKYBOTFAJ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 400.81, ALogP 4.66, HBA 5, HBD 2, PSA 72.94, QED 0.67
Compound (SMILES): Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIKey: HHDZFQUYOHXTKF-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 413.42, ALogP 5.49, HBA 4, HBD 1, PSA 46.92, QED 0.48
Compound (SMILES): Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1
InChIKey: OYSGHQLSJZFEDB-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 414.41, ALogP 4.88, HBA 5, HBD 1, PSA 59.81, QED 0.52
Compound (SMILES): Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)s1
InChIKey: GLJPZURHCFAEIO-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 396.42, ALogP 4.74, HBA 5, HBD 1, PSA 59.81, QED 0.54
Compound (SMILES): Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncccc2F)s1
InChIKey: MDCRNIYVGXNRNA-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 396.42, ALogP 4.74, HBA 5, HBD 1, PSA 59.81, QED 0.54
Compound (SMILES): Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1
InChIKey: WYBQSBONLOWMSI-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 430.87, ALogP 5.39, HBA 5, HBD 1, PSA 59.81, QED 0.47
Compound (SMILES): Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1
InChIKey: GJOWYFYOGGCDOK-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 411.89, ALogP 5.86, HBA 4, HBD 1, PSA 46.92, QED 0.46
Compound (SMILES): Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIKey: SBXZSRFONFSDQE-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 395.43, ALogP 5.35, HBA 4, HBD 1, PSA 46.92, QED 0.51
Compound (SMILES): Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1
InChIKey: CHDDORXKKCJWIV-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 396.42, ALogP 4.74, HBA 5, HBD 1, PSA 59.81, QED 0.54
Compound (SMILES): Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ccncc2F)s1
InChIKey: PVUOYXVOPFAWHK-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 378.43, ALogP 4.6, HBA 5, HBD 1, PSA 59.81, QED 0.56
Compound (SMILES): Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ncccc2F)s1
InChIKey: LZILUFBFRZRISY-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 378.43, ALogP 4.6, HBA 5, HBD 1, PSA 59.81, QED 0.56
Compound (SMILES): Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1
InChIKey: GPWAAAYMQAUUQB-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 412.88, ALogP 5.26, HBA 5, HBD 1, PSA 59.81, QED 0.5
Compound (SMILES): Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ccccc2F)s1
InChIKey: CSOKCGISQMQGLY-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 377.44, ALogP 5.21, HBA 4, HBD 1, PSA 46.92, QED 0.53
Compound (SMILES): Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1
InChIKey: FAWRABBETVKTCP-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 393.9, ALogP 5.72, HBA 4, HBD 1, PSA 46.92, QED 0.48
Compound (SMILES): Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIKey: KAUZLIOZBLLYFJ-UHFFFAOYSA-N
Target: ORAI1/STIM1 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q5M848
Assay: Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope incubated for 5 mins followed by thapsigargin addition for 25 mins measured for 7 secs by fluo4-AM dye-based FLIPR assay
Measurement: IC50 < 600 nM (pChEMBL 6.2220001220703125)
Descriptors: MW 402.45, ALogP 4.8, HBA 6, HBD 1, PSA 59.81, QED 0.53