lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)sc2c1
InChIKey: FPWNOSOZFXVXKC-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 = 2195 nM (pChEMBL 5.659999847412109)
Descriptors: MW 364.48, ALogP 3.81, HBA 9, HBD 0, PSA 61.54, QED 0.51
Compound (SMILES): CSc1nn2cc(-c3nc4ccc(C)cc4s3)nc2s1
InChIKey: PYLMALXFVJRHSA-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 = 203.5 nM (pChEMBL 6.690000057220459)
Descriptors: MW 318.45, ALogP 4.1, HBA 7, HBD 0, PSA 43.08, QED 0.52
Compound (SMILES): CSc1nn2cc(-c3nc4ccc(F)cc4s3)nc2s1
InChIKey: ZMFQLGKCMDUKEY-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 = 30.71 nM (pChEMBL 7.510000228881836)
Descriptors: MW 322.42, ALogP 3.93, HBA 7, HBD 0, PSA 43.08, QED 0.52
Compound (SMILES): CSc1nn2cc(-c3nc4c(C)cc(Cl)cc4s3)nc2s1
InChIKey: QEOOQCHKSXPSAJ-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 = 989.7 nM (pChEMBL 6)
Descriptors: MW 352.9, ALogP 4.75, HBA 7, HBD 0, PSA 43.08, QED 0.49
Compound (SMILES): Fc1ccc2sc(-c3cn4nc(Br)sc4n3)nc2c1
InChIKey: PALOVIIXGBARNG-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 = 1036 nM (pChEMBL 5.989999771118164)
Descriptors: MW 355.22, ALogP 3.97, HBA 6, HBD 0, PSA 43.08, QED 0.52
Compound (SMILES): COc1nn2cc(-c3nc4cc(F)ccc4s3)nc2s1
InChIKey: ZOVPPDXYALLILH-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 = 9.64 nM (pChEMBL 8.020000457763672)
Descriptors: MW 306.35, ALogP 3.22, HBA 7, HBD 0, PSA 52.31, QED 0.57
Compound (SMILES): COc1nn2cc(-c3nc4c(OC(F)(F)F)cccc4s3)nc2s1
InChIKey: KXAWTRHSKAVPGU-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 = 2417 nM (pChEMBL 5.619999885559082)
Descriptors: MW 372.35, ALogP 3.97, HBA 8, HBD 0, PSA 61.54, QED 0.54
Compound (SMILES): COc1nn2cc(-c3nc4c(Cl)cccc4s3)nc2s1
InChIKey: URZRBSVFPVEVHR-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 = 791.4 nM (pChEMBL 6.099999904632568)
Descriptors: MW 322.8, ALogP 3.73, HBA 7, HBD 0, PSA 52.31, QED 0.56
Compound (SMILES): COc1nn2cc(-c3nc4ccc(C)cc4s3)nc2s1
InChIKey: ACLVAVTXGIQTTG-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 = 1053 nM (pChEMBL 5.980000019073486)
Descriptors: MW 302.38, ALogP 3.38, HBA 7, HBD 0, PSA 52.31, QED 0.57
Compound (SMILES): CC(F)(F)c1nn2cc(-c3nc4c(Cl)cccc4s3)nc2s1
InChIKey: DWQPGBNZBRJNKC-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 = 4715 nM (pChEMBL 5.329999923706055)
Descriptors: MW 356.81, ALogP 4.83, HBA 6, HBD 0, PSA 43.08, QED 0.52
Compound (SMILES): Cc1ccc2nc(-c3cn4nc(C(C)(F)F)sc4n3)sc2c1
InChIKey: ZKTUOADQGIMDOE-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 = 2681 nM (pChEMBL 5.570000171661377)
Descriptors: MW 336.39, ALogP 4.49, HBA 6, HBD 0, PSA 43.08, QED 0.54
Compound (SMILES): COc1cc2oc(-c3cn4nc(Br)sc4n3)cc2cc1Cl
InChIKey: OBDXMNPHNNSQGU-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 = 8.63 nM (pChEMBL 8.0600004196167)
Descriptors: MW 384.64, ALogP 4.63, HBA 6, HBD 0, PSA 52.56, QED 0.51
Compound (SMILES): COc1nn2cc(-c3cc4cc(Cl)c(OC)cc4o3)nc2s1
InChIKey: OVFCXMBHMZVZTL-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 = 4.38 nM (pChEMBL 8.359999656677246)
Descriptors: MW 335.77, ALogP 3.87, HBA 7, HBD 0, PSA 61.79, QED 0.57
Compound (SMILES): COc1cc2oc(-c3cn4nc(SC)sc4n3)cc2cc1Cl
InChIKey: IAUVYRYLNYWPLJ-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 = 3.15 nM (pChEMBL 8.5)
Descriptors: MW 351.84, ALogP 4.59, HBA 7, HBD 0, PSA 52.56, QED 0.51
Compound (SMILES): COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: KRDDTIMFUUMXBL-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 = 15.08 nM (pChEMBL 7.820000171661377)
Descriptors: MW 407.45, ALogP 4.8, HBA 8, HBD 0, PSA 71.02, QED 0.4
Compound (SMILES): COc1cc(O)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: XUYVSAMSJCSGNW-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 = 170.5 nM (pChEMBL 6.769999980926514)
Descriptors: MW 317.33, ALogP 2.93, HBA 8, HBD 1, PSA 82.02, QED 0.63
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: LFOIDLOIBZFWDO-UHFFFAOYSA-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 = 24.74 nM (pChEMBL 7.610000133514404)
Descriptors: MW 513.58, ALogP 6.38, HBA 9, HBD 0, PSA 80.25, QED 0.22
Compound (SMILES): CCOc1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12
InChIKey: WACOTWHRFLODGY-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 = 2.01 nM (pChEMBL 8.699999809265137)
Descriptors: MW 345.38, ALogP 3.62, HBA 8, HBD 0, PSA 71.02, QED 0.55
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIKey: IUSAPYYSJIHAQH-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 = 127.4 nM (pChEMBL 6.889999866485596)
Descriptors: MW 305.31, ALogP 4.32, HBA 5, HBD 0, PSA 43.33, QED 0.55
Compound (SMILES): FC(F)C(F)(F)c1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIKey: KIMVEUKEZXYJRA-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 = 456.6 nM (pChEMBL 6.340000152587891)
Descriptors: MW 341.29, ALogP 4.56, HBA 5, HBD 0, PSA 43.33, QED 0.51
Compound (SMILES): FC(F)(Cl)c1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIKey: SKSGLBUEJARBSM-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 = 442.2 nM (pChEMBL 6.349999904632568)
Descriptors: MW 325.73, ALogP 4.49, HBA 5, HBD 0, PSA 43.33, QED 0.51
Compound (SMILES): COc1nn2cc(-c3cc4c(OCc5ccccc5)cccc4o3)nc2s1
InChIKey: YZWRXHGGIGYODL-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 = 24.54 nM (pChEMBL 7.610000133514404)
Descriptors: MW 377.43, ALogP 4.79, HBA 7, HBD 0, PSA 61.79, QED 0.44
Compound (SMILES): COc1nn2cc(-c3cc4c(O)cccc4o3)nc2s1
InChIKey: HMQDKHYZAQBSHA-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 = 111.3 nM (pChEMBL 6.949999809265137)
Descriptors: MW 287.3, ALogP 2.92, HBA 7, HBD 1, PSA 72.79, QED 0.61
Compound (SMILES): COc1cc(OC)c2cc(-c3cn4nc(C(C)F)sc4n3)oc2c1
InChIKey: GCVHDBIQRZNRCE-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 = 50.85 nM (pChEMBL 7.289999961853027)
Descriptors: MW 347.37, ALogP 4.25, HBA 7, HBD 0, PSA 61.79, QED 0.55
Compound (SMILES): C[C@@H](F)c1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1
InChIKey: LPUNCLDVAIJMDW-ZCFIWIBFSA-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 = 332.8 nM (pChEMBL 6.480000019073486)
Descriptors: MW 356.21, ALogP 5.54, HBA 5, HBD 0, PSA 43.33, QED 0.47
Compound (SMILES): C[C@H](F)c1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1
InChIKey: LPUNCLDVAIJMDW-LURJTMIESA-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 = 10.35 nM (pChEMBL 7.989999771118164)
Descriptors: MW 356.21, ALogP 5.54, HBA 5, HBD 0, PSA 43.33, QED 0.47
Compound (SMILES): CSc1nn2cc(-c3cc4c(O)cccc4o3)nc2s1
InChIKey: BVVADHWOBXKOBE-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 = 322.4 nM (pChEMBL 6.489999771118164)
Descriptors: MW 303.37, ALogP 3.63, HBA 7, HBD 1, PSA 63.56, QED 0.57
Compound (SMILES): COCOc1cccc2oc(-c3cn4nc(SC)sc4n3)cc12
InChIKey: UJJATGVFNSOFMX-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 = 16.72 nM (pChEMBL 7.78000020980835)
Descriptors: MW 347.42, ALogP 3.91, HBA 8, HBD 0, PSA 61.79, QED 0.4
Compound (SMILES): CSc1nn2cc(-c3cc4c(OCc5cccnc5)cccc4o3)nc2s1
InChIKey: UXMCWZWPLQMDKX-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 = 482.5 nM (pChEMBL 6.320000171661377)
Descriptors: MW 394.48, ALogP 4.9, HBA 8, HBD 0, PSA 65.45, QED 0.4
Compound (SMILES): COCOc1cccc2oc(-c3cn4nc(OC)sc4n3)cc12
InChIKey: KIQQKKLVHABONG-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 = 7.51 nM (pChEMBL 8.119999885559082)
Descriptors: MW 331.35, ALogP 3.2, HBA 8, HBD 0, PSA 71.02, QED 0.52
Compound (SMILES): COCOc1c(Br)ccc2oc(-c3cn4nc(OC)sc4n3)cc12
InChIKey: DBUCIDGJBZWAPO-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 = 45.1 nM (pChEMBL 7.349999904632568)
Descriptors: MW 410.25, ALogP 3.96, HBA 8, HBD 0, PSA 71.02, QED 0.46
Compound (SMILES): CSc1nn2cc(-c3cc4c(C(F)(F)F)cc(C)nc4o3)nc2s1
InChIKey: OQWGHVLOLUDWLH-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 = 8.15 nM (pChEMBL 8.09000015258789)
Descriptors: MW 370.38, ALogP 4.65, HBA 7, HBD 0, PSA 56.22, QED 0.48
Compound (SMILES): CSc1nn2cc(-c3cc4c(C(=O)O)cccc4o3)nc2s1
InChIKey: ZSLMDXAIWGWRHX-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 = 1285 nM (pChEMBL 5.889999866485596)
Descriptors: MW 331.38, ALogP 3.62, HBA 7, HBD 1, PSA 80.63, QED 0.58
Compound (SMILES): CSc1nn2cc(-c3cc4ccc(C(=O)NCc5ccccc5)cc4o3)nc2s1
InChIKey: XQDLIDIUOCKRGM-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 = 307 nM (pChEMBL 6.510000228881836)
Descriptors: MW 420.52, ALogP 4.86, HBA 7, HBD 1, PSA 72.43, QED 0.41
Compound (SMILES): CSc1nn2cc(-c3cc4c(Cl)nccc4o3)nc2s1
InChIKey: HUACNYNNCGOIQB-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 = 12.5 nM (pChEMBL 7.900000095367432)
Descriptors: MW 322.8, ALogP 3.97, HBA 7, HBD 0, PSA 56.22, QED 0.41
Compound (SMILES): Clc1nccc2oc(-c3cn4nc(Br)sc4n3)cc12
InChIKey: IKIAHPQRAVYPFX-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 = 463.6 nM (pChEMBL 6.329999923706055)
Descriptors: MW 355.6, ALogP 4.01, HBA 6, HBD 0, PSA 56.22, QED 0.48
Compound (SMILES): COc1nn2cc(-c3cc4c(Cl)nccc4o3)nc2s1
InChIKey: NMBXYMWWAULDAY-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 = 21.65 nM (pChEMBL 7.670000076293945)
Descriptors: MW 306.73, ALogP 3.26, HBA 7, HBD 0, PSA 65.45, QED 0.53
Compound (SMILES): COc1nn2cc(-c3cc4c(O)c(Cc5ccccc5)c(OC)cc4o3)nc2s1
InChIKey: CEAGVFOQUHFOKS-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 = 97.09 nM (pChEMBL 7.010000228881836)
Descriptors: MW 407.45, ALogP 4.52, HBA 8, HBD 1, PSA 82.02, QED 0.46
Compound (SMILES): COc1cc(O)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1Br
InChIKey: NCXIOPYHILWRET-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 = 300.5 nM (pChEMBL 6.519999980926514)
Descriptors: MW 430.23, ALogP 4.79, HBA 7, HBD 1, PSA 72.79, QED 0.51
Compound (SMILES): COc1nn2cc(-c3cc4c(OCc5ccccc5)cc(OC)c(Br)c4o3)nc2s1
InChIKey: XBKQUSCDXFHXOJ-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 = 590.9 nM (pChEMBL 6.230000019073486)
Descriptors: MW 486.35, ALogP 5.56, HBA 8, HBD 0, PSA 71.02, QED 0.31
Compound (SMILES): COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1
InChIKey: BTNPHFLFPIMROZ-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 = 4.05 nM (pChEMBL 8.390000343322754)
Descriptors: MW 423.52, ALogP 5.51, HBA 8, HBD 0, PSA 61.79, QED 0.34
Compound (SMILES): COc1cc(OC)c2cc(-c3cn4nc(SC)sc4n3)oc2c1
InChIKey: ZLINPGLTZFGLTB-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 347.42, ALogP 3.94, HBA 8, HBD 0, PSA 61.79, QED 0.52
Compound (SMILES): CSc1nn2cc(-c3cc4cc(OCc5ccccc5)ccc4o3)nc2s1
InChIKey: NRTGTFZWKYTXRJ-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 = 2298 nM (pChEMBL 5.639999866485596)
Descriptors: MW 393.49, ALogP 5.5, HBA 7, HBD 0, PSA 52.56, QED 0.37
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4ccc(F)cc4o3)nc2s1
InChIKey: JYNHAJRHZKBASU-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 = 22.28 nM (pChEMBL 7.650000095367432)
Descriptors: MW 323.3, ALogP 4.45, HBA 5, HBD 0, PSA 43.33, QED 0.55
Compound (SMILES): Cc1ccc2oc(-c3cn4nc(C(C)(F)F)sc4n3)cc2c1
InChIKey: BXYDIBBDKMYBQN-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 = 151.8 nM (pChEMBL 6.820000171661377)
Descriptors: MW 319.34, ALogP 4.62, HBA 5, HBD 0, PSA 43.33, QED 0.54
Compound (SMILES): Cc1ccc2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: VLPNHGIACIUNEC-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 = 15.74 nM (pChEMBL 7.800000190734863)
Descriptors: MW 319.34, ALogP 4.62, HBA 5, HBD 0, PSA 43.33, QED 0.54
Compound (SMILES): Cc1cccc2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc12
InChIKey: IJFZXTARLNHHHG-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 = 113.2 nM (pChEMBL 6.949999809265137)
Descriptors: MW 319.34, ALogP 4.62, HBA 5, HBD 0, PSA 43.33, QED 0.54
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4cc(Cl)ccc4o3)nc2s1
InChIKey: LBSSITQNDSFALY-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 = 158.9 nM (pChEMBL 6.800000190734863)
Descriptors: MW 339.75, ALogP 4.97, HBA 5, HBD 0, PSA 43.33, QED 0.52
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4ccc(Cl)cc4o3)nc2s1
InChIKey: CLBWBXCCMXVMHF-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 = 28.76 nM (pChEMBL 7.539999961853027)
Descriptors: MW 339.75, ALogP 4.97, HBA 5, HBD 0, PSA 43.33, QED 0.52
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1
InChIKey: CVMRFCZPFYULTR-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 = 42.53 nM (pChEMBL 7.369999885559082)
Descriptors: MW 374.2, ALogP 5.62, HBA 5, HBD 0, PSA 43.33, QED 0.46
Compound (SMILES): COc1cc2oc(-c3cn4nc(C(C)(F)F)sc4n3)cc2cc1Cl
InChIKey: OLFZQURBOUXFKN-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 = 7.24 nM (pChEMBL 8.140000343322754)
Descriptors: MW 369.78, ALogP 4.98, HBA 6, HBD 0, PSA 52.56, QED 0.51
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4cccc(OC(F)(F)F)c4o3)nc2s1
InChIKey: ZFIKOGAAMLEMKO-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 = 670.7 nM (pChEMBL 6.170000076293945)
Descriptors: MW 389.31, ALogP 5.21, HBA 6, HBD 0, PSA 52.56, QED 0.45
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4ccc(OCc5ccccc5)cc4o3)nc2s1
InChIKey: XJYCSAVVRADENJ-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 = 290.1 nM (pChEMBL 6.539999961853027)
Descriptors: MW 411.43, ALogP 5.89, HBA 6, HBD 0, PSA 52.56, QED 0.36
Compound (SMILES): COc1cc(OC)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: CZEGYLAUBPILER-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 = 50.51 nM (pChEMBL 7.300000190734863)
Descriptors: MW 365.36, ALogP 4.33, HBA 7, HBD 0, PSA 61.79, QED 0.54
Compound (SMILES): Fc1ccc2cc(-c3cn4nc(C(F)(F)Cl)sc4n3)oc2c1
InChIKey: DUEJYBBLBDARNW-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 = 363.9 nM (pChEMBL 6.440000057220459)
Descriptors: MW 343.72, ALogP 4.63, HBA 5, HBD 0, PSA 43.33, QED 0.5
Compound (SMILES): Cc1ccc2cc(-c3cn4nc(C(F)(F)Cl)sc4n3)oc2c1
InChIKey: ARJOSFSYNMJURR-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 = 382.8 nM (pChEMBL 6.420000076293945)
Descriptors: MW 339.75, ALogP 4.8, HBA 5, HBD 0, PSA 43.33, QED 0.49
Compound (SMILES): CC(F)c1nn2cc(-c3cc4ccc(F)cc4o3)nc2s1
InChIKey: VFMZTQFJBDYEHH-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 = 72.28 nM (pChEMBL 7.139999866485596)
Descriptors: MW 305.31, ALogP 4.37, HBA 5, HBD 0, PSA 43.33, QED 0.55
Compound (SMILES): CC(F)c1nn2cc(-c3cc4ccc(OCc5ccccc5)cc4o3)nc2s1
InChIKey: APCVABPTTCXMIW-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 = 318.1 nM (pChEMBL 6.5)
Descriptors: MW 393.44, ALogP 5.81, HBA 6, HBD 0, PSA 52.56, QED 0.38
Compound (SMILES): CC(F)c1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIKey: PPGDTLZUJUUUMW-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 = 47.87 nM (pChEMBL 7.320000171661377)
Descriptors: MW 287.32, ALogP 4.23, HBA 5, HBD 0, PSA 43.33, QED 0.55
Compound (SMILES): CSc1nn2cc(-c3cc4c(OCC#N)cccc4o3)nc2s1
InChIKey: SLLAPGDJVBKNHB-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 = 145 nM (pChEMBL 6.840000152587891)
Descriptors: MW 342.41, ALogP 3.83, HBA 8, HBD 0, PSA 76.35, QED 0.52
Compound (SMILES): CSc1nn2cc(-c3cc4c(OCc5ccc(F)cc5)cccc4o3)nc2s1
InChIKey: UPUUKKSAQIAPKQ-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 = 19.4 nM (pChEMBL 7.710000038146973)
Descriptors: MW 411.48, ALogP 5.64, HBA 7, HBD 0, PSA 52.56, QED 0.35
Compound (SMILES): CC(F)(F)c1nn2cc(-c3cc4c(OCc5ccccc5)cccc4o3)nc2s1
InChIKey: ALRJLXDRBHPVLV-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 = 267.3 nM (pChEMBL 6.570000171661377)
Descriptors: MW 411.43, ALogP 5.89, HBA 6, HBD 0, PSA 52.56, QED 0.36
Compound (SMILES): CC(F)c1nn2cc(-c3cc4c(OCc5ccccc5)cccc4o3)nc2s1
InChIKey: RIIHIORYUOUSFU-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 = 230.5 nM (pChEMBL 6.639999866485596)
Descriptors: MW 393.44, ALogP 5.81, HBA 6, HBD 0, PSA 52.56, QED 0.38
Compound (SMILES): COCCOc1cccc2oc(-c3cn4nc(Br)sc4n3)cc12
InChIKey: ZYBUGXXKNMNNSK-UHFFFAOYSA-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 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 394.25, ALogP 3.99, HBA 7, HBD 0, PSA 61.79, QED 0.48
Compound (SMILES): CSc1nn2cc(-c3cc4c(OCc5ccccc5)cc(OCc5ccccc5)cc4o3)nc2s1
InChIKey: IMJOTXKCPUSLIZ-UHFFFAOYSA-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 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 499.62, ALogP 7.08, HBA 8, HBD 0, PSA 61.79, QED 0.21
Compound (SMILES): Brc1nn2cc(-c3cc4c(OCc5ccccc5)cc(OCc5ccccc5)cc4o3)nc2s1
InChIKey: UGZXNWFXZDRBKV-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 = 603.5 nM (pChEMBL 6.21999979019165)
Descriptors: MW 532.42, ALogP 7.12, HBA 7, HBD 0, PSA 61.79, QED 0.22
Compound (SMILES): COc1nn2cc(-c3cc4c(OCc5ccccc5)cc(OCc5ccccc5)cc4o3)nc2s1
InChIKey: ZXGIBNGUGWCTKT-UHFFFAOYSA-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 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 483.55, ALogP 6.37, HBA 8, HBD 0, PSA 71.02, QED 0.25
Compound (SMILES): COCCOc1cccc2oc(-c3cn4nc(OC)sc4n3)cc12
InChIKey: ZVPRSYQIWLOUQF-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 = 48.35 nM (pChEMBL 7.320000171661377)
Descriptors: MW 345.38, ALogP 3.24, HBA 8, HBD 0, PSA 71.02, QED 0.5
Compound (SMILES): CSc1nn2cc(-c3cc4cccc(F)c4o3)nc2s1
InChIKey: BXGYXMXOVRTJAH-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 = 50.21 nM (pChEMBL 7.300000190734863)
Descriptors: MW 305.36, ALogP 4.07, HBA 6, HBD 0, PSA 43.33, QED 0.52
Compound (SMILES): CSc1nn2cc(-c3cc4c(Br)cccc4o3)nc2s1
InChIKey: LZCZCYJBGSPKBP-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 = 3.32 nM (pChEMBL 8.479999542236328)
Descriptors: MW 366.26, ALogP 4.69, HBA 6, HBD 0, PSA 43.33, QED 0.48
Compound (SMILES): Fc1cccc2cc(-c3cn4nc(Br)sc4n3)oc12
InChIKey: QYVJVBDFRUTIFG-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 = 322.6 nM (pChEMBL 6.489999771118164)
Descriptors: MW 338.16, ALogP 4.11, HBA 5, HBD 0, PSA 43.33, QED 0.52
Compound (SMILES): COc1ccc2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: NONMEZBMGKSHTR-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 = 4.45 nM (pChEMBL 8.350000381469727)
Descriptors: MW 350.2, ALogP 3.98, HBA 6, HBD 0, PSA 52.56, QED 0.55
Compound (SMILES): COc1cc2oc(-c3cn4nc(SC)sc4n3)cc2cc1Br
InChIKey: FMRWTWJRHVWJNH-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 = 4.53 nM (pChEMBL 8.34000015258789)
Descriptors: MW 396.29, ALogP 4.7, HBA 7, HBD 0, PSA 52.56, QED 0.47
Compound (SMILES): CSc1nn2cc(-c3cc4c(F)cccc4o3)nc2s1
InChIKey: YYAZBJHDQRBSBI-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 = 4.28 nM (pChEMBL 8.369999885559082)
Descriptors: MW 305.36, ALogP 4.07, HBA 6, HBD 0, PSA 43.33, QED 0.52
Compound (SMILES): COc1nn2cc(-c3cc4cccc(F)c4o3)nc2s1
InChIKey: CKJZIEPOIKHGSA-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 = 20.69 nM (pChEMBL 7.679999828338623)
Descriptors: MW 289.29, ALogP 3.35, HBA 6, HBD 0, PSA 52.56, QED 0.57
Compound (SMILES): Fc1ccc2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: IYGHMNONIJWPBX-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 = 37.83 nM (pChEMBL 7.420000076293945)
Descriptors: MW 338.16, ALogP 4.11, HBA 5, HBD 0, PSA 43.33, QED 0.52
Compound (SMILES): COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: HCMZZRYCPFRBAA-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 = 27.98 nM (pChEMBL 7.550000190734863)
Descriptors: MW 441.46, ALogP 5.9, HBA 7, HBD 0, PSA 61.79, QED 0.33
Compound (SMILES): CC1CC1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1
InChIKey: YGHABFAGOLUFRV-FHQIDYJMSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 20.2 nM (pChEMBL 7.699999809265137)
Descriptors: MW 389.41, ALogP 2.82, HBA 7, HBD 1, PSA 86.39, QED 0.84
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC(F)C3)n2)cc1OC(F)F
InChIKey: GBNVMBIYHMHEGF-DCPRQKDISA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 36.6 nM (pChEMBL 7.440000057220459)
Descriptors: MW 407.4, ALogP 2.92, HBA 7, HBD 1, PSA 86.39, QED 0.82
Compound (SMILES): Nc1ncc(-c2cc(C3CCC(N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
InChIKey: MNZFBHKDZZPJSG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 3.57 nM (pChEMBL 8.449999809265137)
Descriptors: MW 496.51, ALogP 3.54, HBA 8, HBD 1, PSA 89.63, QED 0.61
Compound (SMILES): CC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1
InChIKey: PGLKRUYLXJOPIV-LOAJIVSNSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 27.8 nM (pChEMBL 7.559999942779541)
Descriptors: MW 454.43, ALogP 2.94, HBA 8, HBD 1, PSA 89.63, QED 0.71
Compound (SMILES): CC1(F)CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1
InChIKey: ZZZLBPFCYOBPQV-TVJRNMROSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 371.42, ALogP 1.43, HBA 8, HBD 1, PSA 93.29, QED 0.87
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(C3CC3)n2)cc1OC(F)F
InChIKey: SGBSMPBARCZZEF-RYUDHWBXSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 3.1 nM (pChEMBL 8.510000228881836)
Descriptors: MW 391.45, ALogP 3.29, HBA 7, HBD 1, PSA 77.16, QED 0.84
Compound (SMILES): Nc1ncc(-c2cc(N3CCCOCC3)nc(C3CC[C@@H](F)C3)n2)cc1OC(F)F
InChIKey: DNHXPGQCEJOVGY-TYZXPVIJSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 60.4 nM (pChEMBL 7.21999979019165)
Descriptors: MW 423.44, ALogP 3.55, HBA 7, HBD 1, PSA 86.39, QED 0.79
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F.O=CO
InChIKey: TWJIDCSECNUGBB-UQGASIHSSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 6.4 nM (pChEMBL 8.1899995803833)
Descriptors: MW 438.48, ALogP 2.96, HBA 8, HBD 1, PSA 80.4, QED 0.76
Compound (SMILES): Nc1ncc(-c2cc([C@H]3CC[C@@H](N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F
InChIKey: KMFOIWZTOHMJCH-BHYGNILZSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 21.8 nM (pChEMBL 7.659999847412109)
Descriptors: MW 478.52, ALogP 3.24, HBA 8, HBD 1, PSA 89.63, QED 0.68
Compound (SMILES): Nc1ncc(-c2cc([C@H]3CC[C@H](N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F
InChIKey: KMFOIWZTOHMJCH-XIRDDKMYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 15.9 nM (pChEMBL 7.800000190734863)
Descriptors: MW 478.52, ALogP 3.24, HBA 8, HBD 1, PSA 89.63, QED 0.68