lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COCOc1cnc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)cn1
InChIKey: CIJUDSYPSMOAMT-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.22 nM (pChEMBL 8.90999984741211)
Descriptors: MW 545.58, ALogP 5.24, HBA 12, HBD 0, PSA 115.26, QED 0.21
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(N4CCOCC4)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: OGHHKZGLXZWYIH-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 4.81 nM (pChEMBL 8.319999694824219)
Descriptors: MW 569.64, ALogP 5.7, HBA 11, HBD 0, PSA 96.38, QED 0.23
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(C(=O)OC(C)(C)C)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ZLWUPXBJIJIQJF-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 4.18 nM (pChEMBL 8.380000114440918)
Descriptors: MW 584.65, ALogP 6.82, HBA 11, HBD 0, PSA 110.21, QED 0.18
Compound (SMILES): COc1ccc(COC(C)c2ccc(-c3cccc(COc4cc(OC)cc5oc(-c6cn7nc(OC)sc7n6)cc45)c3)nc2)cc1
InChIKey: URNNTQADHDAVFL-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 648.74, ALogP 8.15, HBA 11, HBD 0, PSA 102.37, QED 0.13
Compound (SMILES): COc1ccc(-c2cc(F)cc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)nc1
InChIKey: VETORORWLKBCHO-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.84 nM (pChEMBL 9.079999923706055)
Descriptors: MW 532.55, ALogP 6.01, HBA 10, HBD 0, PSA 93.14, QED 0.24
Compound (SMILES): COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: OCSOUVPYGDAZOO-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 4.04 nM (pChEMBL 8.390000343322754)
Descriptors: MW 519.53, ALogP 6.36, HBA 9, HBD 0, PSA 87.57, QED 0.24
Compound (SMILES): COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1
InChIKey: LPHKQDNIANODOF-HNNXBMFYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against PAR4 in human platelet rich plasma assessed as inhibition of gamma-thrombin-induced platelet aggregation pre-incubated for 5 mins before gamma-thrombin addition by microplate aggregation assay
Measurement: IC50 = 489.7 nM (pChEMBL 6.309999942779541)
Descriptors: MW 501.54, ALogP 6.28, HBA 9, HBD 0, PSA 87.57, QED 0.25
Compound (SMILES): COc1cc(OCc2cncc(-c3ccoc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: HKIGWTJZBHDXHZ-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.08 nM (pChEMBL 8.970000267028809)
Descriptors: MW 474.5, ALogP 5.46, HBA 10, HBD 0, PSA 97.05, QED 0.3
Compound (SMILES): COc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2ccc(Cl)nc2)c1
InChIKey: TVFXAXSHOKOXKP-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.57 nM (pChEMBL 9.239999771118164)
Descriptors: MW 549.01, ALogP 6.52, HBA 10, HBD 0, PSA 93.14, QED 0.2
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(F)cn3)c2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: SEAXECSRNJDIGS-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 4.54 nM (pChEMBL 8.34000015258789)
Descriptors: MW 536.54, ALogP 7.1, HBA 8, HBD 0, PSA 74.68, QED 0.22
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(F)nc3)c2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: XKZVHHYEBUFCJG-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 3.37 nM (pChEMBL 8.470000267028809)
Descriptors: MW 536.54, ALogP 7.1, HBA 8, HBD 0, PSA 74.68, QED 0.2
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(F)cn3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1
InChIKey: YGACWBAYURXDEP-HNNXBMFYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against PAR4 in human platelet rich plasma assessed as inhibition of gamma-thrombin-induced platelet aggregation pre-incubated for 5 mins before gamma-thrombin addition by microplate aggregation assay
Measurement: IC50 = 13.08 nM (pChEMBL 7.880000114440918)
Descriptors: MW 518.55, ALogP 7.02, HBA 8, HBD 0, PSA 74.68, QED 0.23
Compound (SMILES): COc1cc(OCc2cc(F)cc(-c3ncc(F)cc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: HZVASKTYXUVJEP-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.48 nM (pChEMBL 8.829999923706055)
Descriptors: MW 538.51, ALogP 6.28, HBA 9, HBD 0, PSA 83.91, QED 0.24
Compound (SMILES): COc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2cnc(OC)nc2)c1
InChIKey: ZFBVWXYOLVFQGN-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 545.58, ALogP 5.27, HBA 12, HBD 0, PSA 115.26, QED 0.24
Compound (SMILES): COc1cc(OCc2cncc(-c3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: XPAWNUJJYBGDCT-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 7.19 nM (pChEMBL 8.140000343322754)
Descriptors: MW 484.54, ALogP 5.86, HBA 9, HBD 0, PSA 83.91, QED 0.28
Compound (SMILES): COc1ccc(-c2cncc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)cc1
InChIKey: UYZJWKRQPLMNLR-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 2.18 nM (pChEMBL 8.65999984741211)
Descriptors: MW 514.56, ALogP 5.87, HBA 10, HBD 0, PSA 93.14, QED 0.25
Compound (SMILES): COc1cc(OCc2cncc(-c3ccc(Cl)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: CTVCCKTVHIEREJ-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.57 nM (pChEMBL 8.800000190734863)
Descriptors: MW 519.97, ALogP 5.91, HBA 10, HBD 0, PSA 96.8, QED 0.24
Compound (SMILES): COc1cc(OCc2cncc(-c3cnc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: KODGUPRQIASZGI-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 2.14 nM (pChEMBL 8.670000076293945)
Descriptors: MW 516.54, ALogP 4.66, HBA 12, HBD 0, PSA 118.92, QED 0.28
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(Cl)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ISAAVXHGRAHQAY-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 6.66 nM (pChEMBL 8.180000305175781)
Descriptors: MW 519.97, ALogP 5.91, HBA 10, HBD 0, PSA 96.8, QED 0.24
Compound (SMILES): COc1cc(OCc2cccc(-c3cnc(OC)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ORJOGKAUCHZCET-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 2.18 nM (pChEMBL 8.65999984741211)
Descriptors: MW 516.54, ALogP 4.66, HBA 12, HBD 0, PSA 118.92, QED 0.28
Compound (SMILES): COc1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)n2)cc1
InChIKey: OGTZFMJLRATGTJ-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.95 nM (pChEMBL 9.020000457763672)
Descriptors: MW 514.56, ALogP 5.87, HBA 10, HBD 0, PSA 93.14, QED 0.25
Compound (SMILES): CSc1nn2cc(-c3nc4c(OCc5ccccc5-c5ccccc5)cccc4o3)nc2s1
InChIKey: VJUVTZOVZHFDOY-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 3133 nM (pChEMBL 5.5)
Descriptors: MW 470.58, ALogP 6.57, HBA 8, HBD 0, PSA 65.45, QED 0.26
Compound (SMILES): COc1nn2cc(-c3nc4c(OCc5cccc(-c6ccoc6)c5)cccc4o3)nc2s1
InChIKey: PTMJOXUBYUAREQ-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 22.13 nM (pChEMBL 7.659999847412109)
Descriptors: MW 444.47, ALogP 5.45, HBA 9, HBD 0, PSA 87.82, QED 0.34
Compound (SMILES): COc1cc(OCc2cccc(-c3cnc(OC)nc3)c2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1
InChIKey: XUJYIGYGVFXHSI-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.32 nM (pChEMBL 8.880000114440918)
Descriptors: MW 493.52, ALogP 5.5, HBA 9, HBD 0, PSA 96.8, QED 0.29
Compound (SMILES): COc1cc(OCc2cc(F)cc(-c3cnc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: IBYQHLQGHGOYAX-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.39 nM (pChEMBL 9.40999984741211)
Descriptors: MW 533.54, ALogP 5.4, HBA 11, HBD 0, PSA 106.03, QED 0.25
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(C(=O)O)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: DPHKTJPRZYSJSJ-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 65.01 nM (pChEMBL 7.190000057220459)
Descriptors: MW 528.55, ALogP 5.56, HBA 10, HBD 1, PSA 121.21, QED 0.27
Compound (SMILES): COCCN(C)C(=O)c1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)cn1
InChIKey: DAXLLMJGHYRWDS-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.49 nM (pChEMBL 8.829999923706055)
Descriptors: MW 599.67, ALogP 5.58, HBA 11, HBD 0, PSA 113.45, QED 0.19
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(C(C)OC4CCCCO4)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: QQJQTHCXCDSIRW-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.56 nM (pChEMBL 9.25)
Descriptors: MW 612.71, ALogP 7.47, HBA 11, HBD 0, PSA 102.37, QED 0.16
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(C(C)O)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: NOIBOXXSLWLQIA-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.11 nM (pChEMBL 8.960000038146973)
Descriptors: MW 528.59, ALogP 5.92, HBA 10, HBD 1, PSA 104.14, QED 0.26
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(OC4CCCCO4)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: MVNZLPRFEJUQDU-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 583.67, ALogP 7.37, HBA 10, HBD 0, PSA 89.48, QED 0.17
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(OC4CCCCO4)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: NOZXJBVKNVKAEF-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.79 nM (pChEMBL 9.100000381469727)
Descriptors: MW 584.65, ALogP 6.77, HBA 11, HBD 0, PSA 102.37, QED 0.18
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(O)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: PNUKGAVOADJQSO-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 4.91 nM (pChEMBL 8.3100004196167)
Descriptors: MW 499.55, ALogP 6.17, HBA 9, HBD 1, PSA 91.25, QED 0.28
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(O)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: SYOJRUSRWMGBRH-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 9.05 nM (pChEMBL 8.039999961853027)
Descriptors: MW 500.54, ALogP 5.57, HBA 10, HBD 1, PSA 104.14, QED 0.3
Compound (SMILES): COc1cc(OCc2cccc(C3CCOCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: IFQHAIFOVJMOBB-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 0.72 nM (pChEMBL 9.140000343322754)
Descriptors: MW 491.57, ALogP 5.69, HBA 9, HBD 0, PSA 80.25, QED 0.29
Compound (SMILES): O=C(O)CN(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: HVYVUZHMDNAYJX-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 6.1, HBA 5, HBD 1, PSA 84.14, QED 0.24
Compound (SMILES): Cc1c(C(=O)N[C@@H](Cc2ccc(OCc3ccoc3)cc2)C(=O)O)oc2cc(-c3ccc(Cl)cc3)ccc12
InChIKey: NJSZYYLHDYSUFT-SANMLTNESA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 529.98, ALogP 6.66, HBA 5, HBD 2, PSA 101.91, QED 0.22
Compound (SMILES): O=C(Cc1ccc(Oc2ccccc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIKey: XUEPTCFLWHKSOL-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 497.98, ALogP 6.08, HBA 3, HBD 2, PSA 75.63, QED 0.32
Compound (SMILES): O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccccc3Cl)cc2C1
InChIKey: HSWVRFKIKHFHLW-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 530, ALogP 6.01, HBA 3, HBD 2, PSA 75.63, QED 0.29
Compound (SMILES): O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)NC1(C(=O)O)Cc2ccc(-c3cccc(Cl)c3)cc2C1
InChIKey: LRSWGBILXHRLEY-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 530, ALogP 6.01, HBA 3, HBD 2, PSA 75.63, QED 0.29
Compound (SMILES): O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)s3)cc2C1
InChIKey: IRLJLIKWFVOFKG-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 536.02, ALogP 6.07, HBA 4, HBD 2, PSA 75.63, QED 0.29
Compound (SMILES): Nc1cccc(COc2ccc(CC(=O)NC3(C(=O)O)Cc4ccc(-c5ccc(Cl)cc5)cc4C3)cc2)c1
InChIKey: DETFYOMDQNLVQC-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 527.02, ALogP 5.45, HBA 4, HBD 3, PSA 101.65, QED 0.26
Compound (SMILES): Nc1ccccc1COc1ccc(CC(=O)NC2(C(=O)O)Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1
InChIKey: PVHNREZPJQCDEL-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 527.02, ALogP 5.45, HBA 4, HBD 3, PSA 101.65, QED 0.26
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2ccc(-c3ccc(Cl)cc3)cc2s1
InChIKey: KMRNYXKFLPEAAB-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 542.06, ALogP 7.23, HBA 4, HBD 2, PSA 75.63, QED 0.21
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1
InChIKey: UCXBGBXPBKOZEO-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 542.06, ALogP 7.23, HBA 4, HBD 2, PSA 75.63, QED 0.21
Compound (SMILES): CCCOc1ccc(-c2ccc3sc(C(=O)NC(Cc4ccc(OCc5ccc(F)cc5)cc4)C(=O)O)cc3c2)cc1
InChIKey: NIBWYSBCXFMCPD-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 583.68, ALogP 7.5, HBA 5, HBD 2, PSA 84.86, QED 0.16
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1
InChIKey: YXFZZYOJUFDAKE-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 560.05, ALogP 7.37, HBA 4, HBD 2, PSA 75.63, QED 0.2
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2cc(C#Cc3ccccc3)ccc2s1
InChIKey: UMXDGKPFCHXTCR-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 531.63, ALogP 6.31, HBA 4, HBD 2, PSA 75.63, QED 0.23
Compound (SMILES): Cc1c(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)oc2ccc(-c3ccc(Cl)cc3)cc12
InChIKey: XZYSPOJFVRCWCF-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 540.02, ALogP 7.07, HBA 4, HBD 2, PSA 88.77, QED 0.21
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1
InChIKey: FGLNGYXVMVAPIH-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 6.76, HBA 4, HBD 2, PSA 88.77, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1nc2ccc(/C=C/c3ccccc3)cc2[nH]1
InChIKey: QIJPKHCBKMSLCO-VAWYXSNFSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 517.59, ALogP 5.74, HBA 4, HBD 3, PSA 104.31, QED 0.21
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C1=Cc2ccc(-c3ccc(Cl)cc3)cc2SC1
InChIKey: RKVRVXSDGCEHBF-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 556.08, ALogP 6.89, HBA 4, HBD 2, PSA 75.63, QED 0.24
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]c1=O
InChIKey: MCQPOVKFZUSIKA-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 553.01, ALogP 5.85, HBA 4, HBD 3, PSA 108.49, QED 0.21
Compound (SMILES): Nc1c(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)oc2cc(-c3ccc(Cl)cc3)ccc12
InChIKey: CYCXTGQBUNAAGV-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 541, ALogP 6.34, HBA 5, HBD 3, PSA 114.79, QED 0.2
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2o1
InChIKey: HVHYJFBRDNHFRQ-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 6.76, HBA 4, HBD 2, PSA 88.77, QED 0.22
Compound (SMILES): Nc1c(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)oc2ccc(-c3ccc(Cl)cc3)cc12
InChIKey: OVKUONYLCDJZGD-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 541, ALogP 6.34, HBA 5, HBD 3, PSA 114.79, QED 0.2
Compound (SMILES): O=C(NC(Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1
InChIKey: ZRNUWJSECRXGKP-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 6.9, HBA 4, HBD 2, PSA 88.77, QED 0.21
Compound (SMILES): Cc1c(C(=O)N[C@H](C(=O)O)c2ccc(OCc3ccccc3)cc2)oc2cc(-c3ccc(Cl)cc3)ccc12
InChIKey: BDVDNRTWNCJRSH-NDEPHWFRSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 7.2, HBA 4, HBD 2, PSA 88.77, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1
InChIKey: FGALGFUODDWEFL-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 6.9, HBA 4, HBD 2, PSA 88.77, QED 0.21
Compound (SMILES): Cc1ccc(COc2ccc(CC(NC(=O)c3cc4ccc(-c5ccc(Cl)cc5)cc4o3)C(=O)O)cc2)cc1
InChIKey: ZKUKYYHPWKBROO-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 540.02, ALogP 7.07, HBA 4, HBD 2, PSA 88.77, QED 0.21
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2ccc(-c3ccc(Cl)cc3)cc2[nH]1
InChIKey: UHTMZPBAWRONNS-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525, ALogP 6.49, HBA 3, HBD 3, PSA 91.42, QED 0.21
Compound (SMILES): Cn1c(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)cc2ccc(-c3ccc(Cl)cc3)cc21
InChIKey: BDFJOPQBXQYVJO-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 539.03, ALogP 6.5, HBA 4, HBD 2, PSA 80.56, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]1
InChIKey: WFBASJZKBLZYTF-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525, ALogP 6.49, HBA 3, HBD 3, PSA 91.42, QED 0.21
Compound (SMILES): Cn1c(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)cc2cc(-c3ccc(Cl)cc3)ccc21
InChIKey: WVLFSYBRJALCAT-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 539.03, ALogP 6.5, HBA 4, HBD 2, PSA 80.56, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1
InChIKey: CVSWEPVMLGFMRM-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 5.89, HBA 4, HBD 3, PSA 104.31, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1
InChIKey: LGQRYHJFERLFNG-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 6.03, HBA 4, HBD 3, PSA 104.31, QED 0.21
Compound (SMILES): O=C(/C=C/c1cccc(-c2ccc(Cl)cc2)c1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIKey: OECPSUKWTQOLCZ-WOJGMQOQSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 512.01, ALogP 6.41, HBA 3, HBD 2, PSA 75.63, QED 0.24
Compound (SMILES): O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIKey: QPRREELAPZFVLQ-VXLYETTFSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 512.01, ALogP 6.41, HBA 3, HBD 2, PSA 75.63, QED 0.24
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: JDHGPHTWAFKTRA-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 5.66, HBA 5, HBD 2, PSA 92.93, QED 0.26
Compound (SMILES): O=C(N[C@@H](Cc1ccc(OCc2ccsc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: SIFPNYANGOFENF-DEOSSOPVSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 532.02, ALogP 5.72, HBA 6, HBD 2, PSA 92.93, QED 0.25
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: OYMSSMFARJWZGA-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 526.98, ALogP 5.05, HBA 6, HBD 2, PSA 105.82, QED 0.28
Compound (SMILES): O=C(NC(Cc1ccc(NCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: KIERIOVQFXMROZ-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.01, ALogP 5.69, HBA 5, HBD 3, PSA 95.73, QED 0.23
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2F)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: UTFDQDFQXYQYFO-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 5.8, HBA 5, HBD 2, PSA 92.93, QED 0.25
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: QJINHOLALXGEQU-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 5.8, HBA 5, HBD 2, PSA 92.93, QED 0.25
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1
InChIKey: KXXPBICIHLTPLB-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 5.66, HBA 5, HBD 2, PSA 92.93, QED 0.26
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2c(-c3ccc(Cl)cc3)cccc2n1
InChIKey: QNNXOTYDHGSEEP-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 5.66, HBA 5, HBD 2, PSA 92.93, QED 0.26
Compound (SMILES): O=C(NC(Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: IQKKTWADEWOLLQ-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 5.8, HBA 5, HBD 2, PSA 92.93, QED 0.25
Compound (SMILES): CN(C(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIKey: DUIKCIKEEZIOAG-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 540.02, ALogP 6, HBA 5, HBD 1, PSA 84.14, QED 0.25
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)c1nnn[nH]1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: RSPXBYVZDFZHKB-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 550.02, ALogP 5.46, HBA 7, HBD 2, PSA 110.09, QED 0.25