lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cc2oc(-c3cn4nc(C(C)(F)F)sc4n3)cc2cc1Cl
InChIKey: FARAWMLGTMWEOC-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 = 1972 nM (pChEMBL 5.710000038146973)
Descriptors: MW 353.78, ALogP 5.28, HBA 5, HBD 0, PSA 43.33, QED 0.49
Compound (SMILES): COc1cc2oc(-c3cn4nc(Br)sc4n3)cc2cc1Br
InChIKey: LADCSCLRMIJVQH-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 = 23.14 nM (pChEMBL 7.639999866485596)
Descriptors: MW 429.09, ALogP 4.74, HBA 6, HBD 0, PSA 52.56, QED 0.46
Compound (SMILES): Fc1cccc2oc(-c3cn4nc(Br)sc4n3)cc12
InChIKey: NMNKBXCDVCWFTD-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 = 120.4 nM (pChEMBL 6.920000076293945)
Descriptors: MW 338.16, ALogP 4.11, HBA 5, HBD 0, PSA 43.33, QED 0.52
Compound (SMILES): Cc1cc2oc(-c3cn4nc(Br)sc4n3)cc2cc1Cl
InChIKey: YODVYCFICAGHRC-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 = 511.5 nM (pChEMBL 6.289999961853027)
Descriptors: MW 368.64, ALogP 4.93, HBA 5, HBD 0, PSA 43.33, QED 0.48
Compound (SMILES): COc1nn2cc(-c3cc4cc(Br)c(OC)cc4o3)nc2s1
InChIKey: DLSTZCBIRYNHKP-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 = 52.6 nM (pChEMBL 7.28000020980835)
Descriptors: MW 380.22, ALogP 3.98, HBA 7, HBD 0, PSA 61.79, QED 0.54
Compound (SMILES): COc1nn2cc(-c3cc4c(F)cccc4o3)nc2s1
InChIKey: UNBQYHPSIUXTPD-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 = 3.46 nM (pChEMBL 8.460000038146973)
Descriptors: MW 289.29, ALogP 3.35, HBA 6, HBD 0, PSA 52.56, QED 0.57
Compound (SMILES): COc1nn2cc(-c3cc4cc(Cl)c(C)cc4o3)nc2s1
InChIKey: BYCBOULRJWWZOJ-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 = 138.3 nM (pChEMBL 6.860000133514404)
Descriptors: MW 319.77, ALogP 4.17, HBA 6, HBD 0, PSA 52.56, QED 0.56
Compound (SMILES): COc1nn2cc(-c3cc4c(OCc5cccc(C#N)c5)cccc4o3)nc2s1
InChIKey: LBDBEUILTYBCRL-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 = 1344 nM (pChEMBL 5.869999885559082)
Descriptors: MW 402.44, ALogP 4.66, HBA 8, HBD 0, PSA 85.58, QED 0.42
Compound (SMILES): COc1ccc(Br)c2cc(-c3cn4nc(SC)sc4n3)oc12
InChIKey: MGPWBRQZLHZXTC-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 = 5630 nM (pChEMBL 5.25)
Descriptors: MW 396.29, ALogP 4.7, HBA 7, HBD 0, PSA 52.56, QED 0.47
Compound (SMILES): COc1cc(Br)c2oc(-c3cn4nc(SC)sc4n3)cc2c1
InChIKey: RLQFPFUSFYLZJK-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 = 2706 nM (pChEMBL 5.570000171661377)
Descriptors: MW 396.29, ALogP 4.7, HBA 7, HBD 0, PSA 52.56, QED 0.47
Compound (SMILES): COc1cc(Br)cc2cc(-c3cn4nc(SC)sc4n3)oc12
InChIKey: IIXJDRILHGXWAB-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 = 138.7 nM (pChEMBL 6.860000133514404)
Descriptors: MW 396.29, ALogP 4.7, HBA 7, HBD 0, PSA 52.56, QED 0.47
Compound (SMILES): COc1ccc(Br)c2cc(-c3cn4nc(Br)sc4n3)oc12
InChIKey: MBIDLSGTZNNCKZ-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 = 317.2 nM (pChEMBL 6.5)
Descriptors: MW 429.09, ALogP 4.74, HBA 6, HBD 0, PSA 52.56, QED 0.46
Compound (SMILES): COc1cc(Br)cc2cc(-c3cn4nc(Br)sc4n3)oc12
InChIKey: QXRWWDMIZGSBLS-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 = 275.8 nM (pChEMBL 6.559999942779541)
Descriptors: MW 429.09, ALogP 4.74, HBA 6, HBD 0, PSA 52.56, QED 0.46
Compound (SMILES): CSc1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1
InChIKey: LERPUYRTEAHAKM-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 = 8.19 nM (pChEMBL 8.09000015258789)
Descriptors: MW 356.26, ALogP 5.23, HBA 6, HBD 0, PSA 43.33, QED 0.46
Compound (SMILES): Clc1cc(Cl)c2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: UDKWJEXGERPOKT-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 = 94.11 nM (pChEMBL 7.03000020980835)
Descriptors: MW 389.06, ALogP 5.27, HBA 5, HBD 0, PSA 43.33, QED 0.45
Compound (SMILES): COc1nn2cc(-c3cc4c(Br)ccc(OC)c4o3)nc2s1
InChIKey: WBHOYDUTGJVJDO-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 = 29.64 nM (pChEMBL 7.53000020980835)
Descriptors: MW 380.22, ALogP 3.98, HBA 7, HBD 0, PSA 61.79, QED 0.54
Compound (SMILES): COc1cc(Br)c2oc(-c3cn4nc(OC)sc4n3)cc2c1
InChIKey: CWVCTZRCBMOVAP-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 = 2727 nM (pChEMBL 5.559999942779541)
Descriptors: MW 380.22, ALogP 3.98, HBA 7, HBD 0, PSA 61.79, QED 0.54
Compound (SMILES): COc1nn2cc(-c3cc4cc(Br)cc(OC)c4o3)nc2s1
InChIKey: ZHPUTMYMXLHTDU-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 = 24.22 nM (pChEMBL 7.619999885559082)
Descriptors: MW 380.22, ALogP 3.98, HBA 7, HBD 0, PSA 61.79, QED 0.54
Compound (SMILES): COc1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1
InChIKey: BGRDVGLBVMWZRY-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 = 22.68 nM (pChEMBL 7.639999866485596)
Descriptors: MW 340.19, ALogP 4.52, HBA 6, HBD 0, PSA 52.56, QED 0.54
Compound (SMILES): COc1ccc2cc(-c3cn4nc(C(C)F)sc4n3)oc2c1
InChIKey: PHUGYJAKJHUTKQ-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 = 4.83 nM (pChEMBL 8.319999694824219)
Descriptors: MW 317.35, ALogP 4.24, HBA 6, HBD 0, PSA 52.56, QED 0.57
Compound (SMILES): COc1cc(OC)c2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: GTTIDKJPJQVMMU-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 = 19.46 nM (pChEMBL 7.710000038146973)
Descriptors: MW 380.22, ALogP 3.98, HBA 7, HBD 0, PSA 61.79, QED 0.54
Compound (SMILES): CSc1nn2cc(-c3cc4c(C)cc(C)cc4o3)nc2s1
InChIKey: QFGCDALEIDJTDD-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 = 12.14 nM (pChEMBL 7.920000076293945)
Descriptors: MW 315.42, ALogP 4.54, HBA 6, HBD 0, PSA 43.33, QED 0.51
Compound (SMILES): Cc1cc(C)c2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: BBEBIDKBGSJFKH-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 = 106.3 nM (pChEMBL 6.96999979019165)
Descriptors: MW 348.23, ALogP 4.58, HBA 5, HBD 0, PSA 43.33, QED 0.51
Compound (SMILES): COc1nn2cc(-c3cc4c(C)cc(C)cc4o3)nc2s1
InChIKey: CHFLUHXFYHIXIF-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 = 5.88 nM (pChEMBL 8.229999542236328)
Descriptors: MW 299.36, ALogP 3.83, HBA 6, HBD 0, PSA 52.56, QED 0.56
Compound (SMILES): COc1cc(OC(C)C)c2cc(-c3cn4nc(SC)sc4n3)oc2c1
InChIKey: RZALDAJZVPPGJI-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 = 18.64 nM (pChEMBL 7.730000019073486)
Descriptors: MW 375.48, ALogP 4.72, HBA 8, HBD 0, PSA 61.79, QED 0.47
Compound (SMILES): COc1cc(OC(C)C)c2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: IYNRPLHTWICKDF-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 = 78.75 nM (pChEMBL 7.099999904632568)
Descriptors: MW 408.28, ALogP 4.76, HBA 7, HBD 0, PSA 61.79, QED 0.49
Compound (SMILES): COc1cc(OC(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: VVNBVZQFZHVDJM-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 = 3.43 nM (pChEMBL 8.460000038146973)
Descriptors: MW 359.41, ALogP 4.01, HBA 8, HBD 0, PSA 71.02, QED 0.54
Compound (SMILES): COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1
InChIKey: SJOMYQBIXLBYET-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 = 2955 nM (pChEMBL 5.53000020980835)
Descriptors: MW 441.51, ALogP 5.65, HBA 8, HBD 0, PSA 61.79, QED 0.32
Compound (SMILES): COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: HEWDPXHAMBBOEQ-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 474.31, ALogP 5.69, HBA 7, HBD 0, PSA 61.79, QED 0.33
Compound (SMILES): COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: QEMKRWIEVOKBTR-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 = 3189 nM (pChEMBL 5.5)
Descriptors: MW 425.44, ALogP 4.94, HBA 8, HBD 0, PSA 71.02, QED 0.38
Compound (SMILES): COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: SNLNFHWLCPXTHU-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 459.45, ALogP 6.04, HBA 7, HBD 0, PSA 61.79, QED 0.31
Compound (SMILES): COc1nn2cc(-c3cc4c(C(F)(F)F)cc(C)nc4o3)nc2s1
InChIKey: FRTTVUFSGIGSRY-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 = 13.57 nM (pChEMBL 7.869999885559082)
Descriptors: MW 354.31, ALogP 3.93, HBA 7, HBD 0, PSA 65.45, QED 0.55
Compound (SMILES): Cc1cc(C(F)(F)F)c2cc(-c3cn4nc(Br)sc4n3)oc2n1
InChIKey: PETYJFLMIAQLJE-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 = 1098 nM (pChEMBL 5.960000038146973)
Descriptors: MW 403.18, ALogP 4.69, HBA 6, HBD 0, PSA 56.22, QED 0.46
Compound (SMILES): COc1cc(OCc2cccc(OCc3cccc(C)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: AVWPQVHDNKHZTM-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 = 101 nM (pChEMBL 7)
Descriptors: MW 528.59, ALogP 6.08, HBA 10, HBD 0, PSA 93.14, QED 0.22
Compound (SMILES): COc1cc(OCc2cccc(OCc3cccnc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: FTYFPNUHVKKTTR-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 = 186.8 nM (pChEMBL 6.730000019073486)
Descriptors: MW 528.59, ALogP 6.08, HBA 10, HBD 0, PSA 93.14, QED 0.22
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: YSHZYOSRYVGLMF-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 543.6, ALogP 6.39, HBA 10, HBD 0, PSA 89.48, QED 0.2
Compound (SMILES): COc1cc(OCc2cccc(OCc3cccc4ccccc34)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: DRRCSBAIMNCDDO-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 = 3.45 nM (pChEMBL 8.460000038146973)
Descriptors: MW 563.64, ALogP 7.53, HBA 9, HBD 0, PSA 80.25, QED 0.18
Compound (SMILES): COc1cc(OCc2cccc(OCc3cc(F)cc(F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: BWVKJBKVGFQHAA-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 = 8.82 nM (pChEMBL 8.050000190734863)
Descriptors: MW 549.56, ALogP 6.66, HBA 9, HBD 0, PSA 80.25, QED 0.2
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccc(C)cc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ZDRXIAOHAWIBCJ-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 = 2.13 nM (pChEMBL 8.670000076293945)
Descriptors: MW 541.63, ALogP 7, HBA 9, HBD 0, PSA 80.25, QED 0.2
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccc(C(C)C)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: SUJNEARLZMSITK-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 = 2.11 nM (pChEMBL 8.680000305175781)
Descriptors: MW 555.66, ALogP 7.5, HBA 9, HBD 0, PSA 80.25, QED 0.17
Compound (SMILES): COc1cc(OCc2cccc(OCc3cccc(F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: XBXCLXVIKVHGLT-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 549.56, ALogP 6.66, HBA 9, HBD 0, PSA 80.25, QED 0.2
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccc(F)c(C(F)(F)F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: HHRUPXKHVUDTFM-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 = 8.88 nM (pChEMBL 8.050000190734863)
Descriptors: MW 599.56, ALogP 7.54, HBA 9, HBD 0, PSA 80.25, QED 0.16
Compound (SMILES): COc1cc(OCc2cccc(OCc3cccc(C(F)(F)F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: QFIBUWWIRBCOEQ-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 = 93.28 nM (pChEMBL 7.03000020980835)
Descriptors: MW 599.56, ALogP 7.54, HBA 9, HBD 0, PSA 80.25, QED 0.16
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3-c3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: KCQNXSMRRPWDNF-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 = 8.36 nM (pChEMBL 8.079999923706055)
Descriptors: MW 589.67, ALogP 8.05, HBA 9, HBD 0, PSA 80.25, QED 0.16
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: HEQIPKFLBSZNBO-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 = 36.47 nM (pChEMBL 7.440000057220459)
Descriptors: MW 531.57, ALogP 6.52, HBA 9, HBD 0, PSA 80.25, QED 0.21
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: NCLZZOQKTLBARS-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 = 124 nM (pChEMBL 6.909999847412109)
Descriptors: MW 514.56, ALogP 5.77, HBA 10, HBD 0, PSA 93.14, QED 0.24
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccnc(Cl)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: HJXMAYUIDNXOBC-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 = 75.51 nM (pChEMBL 7.119999885559082)
Descriptors: MW 549.01, ALogP 6.43, HBA 10, HBD 0, PSA 93.14, QED 0.19
Compound (SMILES): COc1cc(OCc2cccc(OCc3cc(C(F)(F)F)ccc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: QYGAUQZWEPELSL-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 = 6.73 nM (pChEMBL 8.170000076293945)
Descriptors: MW 599.56, ALogP 7.54, HBA 9, HBD 0, PSA 80.25, QED 0.16
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3OC(F)(F)F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: KFTOJWNYAYHSDK-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 = 9.97 nM (pChEMBL 8)
Descriptors: MW 597.57, ALogP 7.28, HBA 10, HBD 0, PSA 89.48, QED 0.16
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccc(Cl)cc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: QXBUSWBKOYEZMY-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 566.01, ALogP 7.17, HBA 9, HBD 0, PSA 80.25, QED 0.18
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccc(C)c(Cl)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: MJYPAEDEIQIMNH-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 = 3.52 nM (pChEMBL 8.449999809265137)
Descriptors: MW 562.05, ALogP 7.34, HBA 9, HBD 0, PSA 80.25, QED 0.18
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccc(F)c(F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: DMEOJDHQDUJNCG-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 = 86.15 nM (pChEMBL 7.070000171661377)
Descriptors: MW 567.55, ALogP 6.8, HBA 9, HBD 0, PSA 80.25, QED 0.18
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3C(F)(F)F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: LSTPHVYIKUTJNC-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 = 3.36 nM (pChEMBL 8.470000267028809)
Descriptors: MW 581.57, ALogP 7.4, HBA 9, HBD 0, PSA 80.25, QED 0.18
Compound (SMILES): COc1cc(OCc2cccc(OCc3cccc(F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: PHOPZPDFLRAOCR-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 = 37.88 nM (pChEMBL 7.420000076293945)
Descriptors: MW 531.57, ALogP 6.52, HBA 9, HBD 0, PSA 80.25, QED 0.21
Compound (SMILES): COc1cc(OCc2cccc(OCc3cc(F)c(F)c(F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ZJSIDXGLIWLHKP-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 = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 567.55, ALogP 6.8, HBA 9, HBD 0, PSA 80.25, QED 0.18
Compound (SMILES): COc1cc(OCc2cccc(OCc3cncnc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: BYKFSXVFGQWUPM-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 = 71.6 nM (pChEMBL 7.139999866485596)
Descriptors: MW 515.55, ALogP 5.17, HBA 11, HBD 0, PSA 106.03, QED 0.26
Compound (SMILES): COc1cc(OCc2cccc(OCc3c(F)ccc(F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: PIMMVJDYGPHOHZ-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 = 2.62 nM (pChEMBL 8.579999923706055)
Descriptors: MW 567.55, ALogP 6.8, HBA 9, HBD 0, PSA 80.25, QED 0.18
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@H]5CCCN5C(=O)OC(C)(C)C)cccc4o3)nc2s1
InChIKey: YJCVQEMEWFOICL-CYBMUJFWSA-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 = 84.33 nM (pChEMBL 7.070000171661377)
Descriptors: MW 487.61, ALogP 5.1, HBA 10, HBD 0, PSA 94.99, QED 0.36
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@@H]5CCCN5C(=O)OC(C)(C)C)cccc4o3)nc2s1
InChIKey: YJCVQEMEWFOICL-ZDUSSCGKSA-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 = 253.2 nM (pChEMBL 6.599999904632568)
Descriptors: MW 487.61, ALogP 5.1, HBA 10, HBD 0, PSA 94.99, QED 0.36
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)(C)C)c5ccccc5)cccc4o3)nc2s1
InChIKey: DBBUDAVZQJQSFL-AUSIDOKSSA-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 = 565.6 nM (pChEMBL 6.25)
Descriptors: MW 620.76, ALogP 5.96, HBA 11, HBD 1, PSA 124.09, QED 0.21
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)(C)C)c5ccccc5)cccc4o3)nc2s1
InChIKey: DBBUDAVZQJQSFL-WMZHIEFXSA-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 = 2365 nM (pChEMBL 5.630000114440918)
Descriptors: MW 620.76, ALogP 5.96, HBA 11, HBD 1, PSA 124.09, QED 0.21
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@H]5CCCN5C(=O)[C@H](NC(=O)c5ccccc5)c5ccccc5)cccc4o3)nc2s1
InChIKey: PKJRXDCVDWEFEE-ATIYNZHBSA-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 = 537 nM (pChEMBL 6.269999980926514)
Descriptors: MW 624.75, ALogP 5.86, HBA 10, HBD 1, PSA 114.86, QED 0.2
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@H]5CCCN5C(=O)[C@H](NC(=O)c5cccs5)c5ccccc5)cccc4o3)nc2s1
InChIKey: RGPTXWYIHPATFG-NTKDMRAZSA-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 = 897.2 nM (pChEMBL 6.050000190734863)
Descriptors: MW 630.78, ALogP 5.92, HBA 11, HBD 1, PSA 114.86, QED 0.2
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@@H]5CCCN5C(=O)[C@H](NC(=O)c5ccccc5)c5ccccc5)cccc4o3)nc2s1
InChIKey: PKJRXDCVDWEFEE-BKMJKUGQSA-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 624.75, ALogP 5.86, HBA 10, HBD 1, PSA 114.86, QED 0.2
Compound (SMILES): CSc1nn2cc(-c3nc4c(OC[C@@H]5CCCN5C(=O)[C@H](NC(=O)c5cccs5)c5ccccc5)cccc4o3)nc2s1
InChIKey: RGPTXWYIHPATFG-YADARESESA-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 = 1165 nM (pChEMBL 5.929999828338623)
Descriptors: MW 630.78, ALogP 5.92, HBA 11, HBD 1, PSA 114.86, QED 0.2
Compound (SMILES): COc1cc(OC[C@@H]2COC(C)(C)O2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: SMWNVXCHQLZZEO-GFCCVEGCSA-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 = 0.87 nM (pChEMBL 9.0600004196167)
Descriptors: MW 431.47, ALogP 3.75, HBA 10, HBD 0, PSA 89.48, QED 0.46
Compound (SMILES): COc1cc(OC[C@H]2CCCN2C(=O)OC(C)(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ATRWYCQYGIJKBZ-CQSZACIVSA-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 = 2.21 nM (pChEMBL 8.65999984741211)
Descriptors: MW 500.58, ALogP 5, HBA 10, HBD 0, PSA 100.56, QED 0.36
Compound (SMILES): COc1cc(OC[C@H]2CCCN2C(=O)c2ccc(F)cc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: FBXZZGNLWOKPHW-QGZVFWFLSA-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 nM (pChEMBL 7.659999847412109)
Descriptors: MW 522.56, ALogP 5.04, HBA 9, HBD 0, PSA 91.33, QED 0.3
Compound (SMILES): COc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ATRWYCQYGIJKBZ-AWEZNQCLSA-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 = 253.2 nM (pChEMBL 6.599999904632568)
Descriptors: MW 500.58, ALogP 5, HBA 10, HBD 0, PSA 100.56, QED 0.36
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(Br)sc4n3)oc2c1
InChIKey: MAMAOHKZNYAETB-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 = 1.12 nM (pChEMBL 8.949999809265137)
Descriptors: MW 562.45, ALogP 7.13, HBA 8, HBD 0, PSA 71.02, QED 0.2
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1
InChIKey: XBZLSNJIBMVOTL-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 = 0.86 nM (pChEMBL 9.069999694824219)
Descriptors: MW 529.64, ALogP 7.09, HBA 9, HBD 0, PSA 71.02, QED 0.19
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccc(F)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: KKAVIDXQJWURRZ-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 = 146.9 nM (pChEMBL 6.829999923706055)
Descriptors: MW 531.57, ALogP 6.52, HBA 9, HBD 0, PSA 80.25, QED 0.21
Compound (SMILES): COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1
InChIKey: HAUIYCJBLRAIGR-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 = 579.3 nM (pChEMBL 6.239999771118164)
Descriptors: MW 547.58, ALogP 7.48, HBA 8, HBD 0, PSA 71.02, QED 0.19
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@H]3C(F)F)n2)cc1OC(F)F
InChIKey: UHFNFIRBSVUSLZ-OBJOEFQTSA-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 = 4.98 nM (pChEMBL 8.300000190734863)
Descriptors: MW 454.43, ALogP 2.93, HBA 8, HBD 1, PSA 89.63, QED 0.67
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(C3)CC4(F)F)n2)cc1OC(F)F
InChIKey: GOZXTWBSCLKJCX-CFLSSUJWSA-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 = 4.32 nM (pChEMBL 8.369999885559082)
Descriptors: MW 466.44, ALogP 2.94, HBA 8, HBD 1, PSA 89.63, QED 0.67
Compound (SMILES): C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@@H](N4CCCOCC4)C3)n2)C1
InChIKey: OQQQQNTWFLWMNZ-ICKUNSISSA-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 = 1.14 nM (pChEMBL 8.9399995803833)
Descriptors: MW 492.55, ALogP 3.63, HBA 8, HBD 1, PSA 89.63, QED 0.65
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@H]3CF)n2)cc1OC(F)F
InChIKey: XQDHTCLLUIVONJ-IHRRRGAJSA-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 = 5.74 nM (pChEMBL 8.239999771118164)
Descriptors: MW 436.44, ALogP 2.64, HBA 8, HBD 1, PSA 89.63, QED 0.74
Compound (SMILES): Nc1ncc(-c2cc(-n3cccn3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
InChIKey: SMXJCXLQSFBATF-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 = 185 nM (pChEMBL 6.730000019073486)
Descriptors: MW 409.35, ALogP 2.75, HBA 8, HBD 1, PSA 94.98, QED 0.65
Compound (SMILES): CC1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F
InChIKey: UQZPOFKSWXHPNH-OLPBLLBXSA-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 = 2.96 nM (pChEMBL 8.529999732971191)
Descriptors: MW 454.43, ALogP 2.79, HBA 8, HBD 1, PSA 89.63, QED 0.69
Compound (SMILES): CC1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F
InChIKey: XCVLSSSKXVRZPF-OLPBLLBXSA-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 = 13.5 nM (pChEMBL 7.869999885559082)
Descriptors: MW 389.41, ALogP 1.58, HBA 8, HBD 1, PSA 93.29, QED 0.85
Compound (SMILES): CC1=C(F)CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1
InChIKey: JPESTNKFDMBADZ-STQMWFEESA-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 = 2.84 nM (pChEMBL 8.550000190734863)
Descriptors: MW 434.42, ALogP 2.76, HBA 8, HBD 1, PSA 89.63, QED 0.77
Compound (SMILES): C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@@H]4C3)n2)C1
InChIKey: NINPREOKDHTZDV-QRQCRPRQSA-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 = 3.74 nM (pChEMBL 8.430000305175781)
Descriptors: MW 463.51, ALogP 2.94, HBA 8, HBD 1, PSA 83.64, QED 0.72
Compound (SMILES): Nc1ncc(-c2cc(N3CC(N4CCCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
InChIKey: MJJBOJXTTJHTFW-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 = 7.68 nM (pChEMBL 8.119999885559082)
Descriptors: MW 497.5, ALogP 2.48, HBA 9, HBD 1, PSA 92.87, QED 0.6
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)C3)n2)cc1OC(F)F
InChIKey: XINBLAYLIMOMNG-STQMWFEESA-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 = 2.06 nM (pChEMBL 8.6899995803833)
Descriptors: MW 454.43, ALogP 2.94, HBA 8, HBD 1, PSA 89.63, QED 0.69
Compound (SMILES): C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@H]4C3)n2)C1
InChIKey: NINPREOKDHTZDV-NYHFZMIOSA-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 = 1.92 nM (pChEMBL 8.720000267028809)
Descriptors: MW 463.51, ALogP 2.94, HBA 8, HBD 1, PSA 83.64, QED 0.72
Compound (SMILES): Nc1ncc(-c2cc(N3CCN4CCCC4C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
InChIKey: CPBQHKJJICMXSA-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 = 6.26 nM (pChEMBL 8.199999809265137)
Descriptors: MW 467.47, ALogP 2.85, HBA 8, HBD 1, PSA 83.64, QED 0.67