lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)c1nnn[nH]1)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: VGSRXYXKYYFUPT-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 551.01, ALogP 4.86, HBA 8, HBD 2, PSA 122.98, QED 0.26
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2nccc(-c3ccc(Cl)cc3)n2n1
InChIKey: YGKQFOUTOULEKA-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 526.98, ALogP 5.05, HBA 6, HBD 2, PSA 105.82, QED 0.28
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccccc3F)ccc2n1
InChIKey: JPQFDICCRMPXMK-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 509.54, ALogP 5.15, HBA 5, HBD 2, PSA 92.93, QED 0.29
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(-c3ccc(C#Cc4ccccc4)cc3)ccc2n1
InChIKey: IYVACQASUPDXJU-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 592.66, ALogP 5.8, HBA 6, HBD 2, PSA 105.82, QED 0.21
Compound (SMILES): CS(=O)(=O)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIKey: MWESQRARTGLRGI-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 603.1, ALogP 4.65, HBA 7, HBD 2, PSA 118.87, QED 0.24
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccccc3Cl)ccc2n1
InChIKey: HBXLOJINWBKPHW-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 5.66, HBA 5, HBD 2, PSA 92.93, QED 0.26
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1
InChIKey: RJKOUWKUQCNQLF-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 5.66, HBA 5, HBD 2, PSA 92.93, QED 0.26
Compound (SMILES): Cc1c(-c2ccc(Cl)cc2)ccc2nc(C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)C(=O)O)cn12
InChIKey: TWJXKJMNJVEDAJ-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 540.02, ALogP 5.97, HBA 5, HBD 2, PSA 92.93, QED 0.24
Compound (SMILES): Cc1cc(-c2ccc(Cl)cc2)cn2cc(C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)C(=O)O)nc12
InChIKey: PTCKWBHTDIXPNJ-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 540.02, ALogP 5.97, HBA 5, HBD 2, PSA 92.93, QED 0.24
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cccc(OCc3ccc(Cl)cc3)c2n1
InChIKey: UXIGRFNDZSFJRK-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 556.02, ALogP 5.57, HBA 6, HBD 2, PSA 102.16, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(/C=C/c3ccc(Cl)cc3)ccc2n1
InChIKey: CRFNZFBQPIZHDY-MDWZMJQESA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 553.02, ALogP 5.56, HBA 6, HBD 2, PSA 105.82, QED 0.23
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1nc2ccc(-c3ccc(Cl)cc3)cn2c1Cl
InChIKey: WTFGOZAIRGFZIW-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 560.44, ALogP 6.31, HBA 5, HBD 2, PSA 92.93, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(/C=C/c3ccc(Cl)cc3)ccc2n1
InChIKey: YQZVKGGJYBCUIZ-VOTSOKGWSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 552.03, ALogP 6.16, HBA 5, HBD 2, PSA 92.93, QED 0.22
Compound (SMILES): Cc1ccc(/C=C/c2ccc3nc(C(=O)NC(Cc4ccc(OCc5ccccc5)cc4)C(=O)O)cn3c2)cc1
InChIKey: UMXNHIJUANIVHH-VAWYXSNFSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 531.61, ALogP 5.82, HBA 5, HBD 2, PSA 92.93, QED 0.24
Compound (SMILES): CC(C)Oc1ccc(-c2ccc3nc(C(=O)NC(Cc4ccc(OCc5ccccc5)cc4)C(=O)O)cn3c2)cc1
InChIKey: XJEXKJOKRAUHPR-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 549.63, ALogP 5.79, HBA 6, HBD 2, PSA 102.16, QED 0.22
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2F)cc1)C(=O)O)C1=NC2C=C(c3ccc(Cl)cc3)C=CN2C1
InChIKey: LNFRLPIVEQEBCG-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 546, ALogP 4.86, HBA 5, HBD 2, PSA 91.23, QED 0.4
Compound (SMILES): O=C(NC(Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1
InChIKey: CVAIBYVVROUPSO-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 5.8, HBA 5, HBD 2, PSA 92.93, QED 0.25
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1
InChIKey: NDALCSGTOZRLQG-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 543.98, ALogP 5.8, HBA 5, HBD 2, PSA 92.93, QED 0.25
Compound (SMILES): CN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIKey: XUGNBLRFDYSRMX-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 540.02, ALogP 6, HBA 5, HBD 1, PSA 84.14, QED 0.25
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(SCc3ccccc3)ccc2n1
InChIKey: OZXCXDNEHYFUFQ-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 538.63, ALogP 5.03, HBA 7, HBD 2, PSA 105.82, QED 0.23
Compound (SMILES): O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1
InChIKey: KXXPBICIHLTPLB-SANMLTNESA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 525.99, ALogP 5.66, HBA 5, HBD 2, PSA 92.93, QED 0.26
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(CCc3ccccc3)ccc2n1
InChIKey: TWSXTSPPLQSRBN-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 519.6, ALogP 5.12, HBA 5, HBD 2, PSA 92.93, QED 0.25
Compound (SMILES): Cc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1
InChIKey: SUGCTLMGWFHNMX-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 540.02, ALogP 5.97, HBA 5, HBD 2, PSA 92.93, QED 0.24
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cn2ccc(C#Cc3ccccc3)cc2n1
InChIKey: KCZKTGIANOSJNM-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 533.56, ALogP 4.88, HBA 5, HBD 2, PSA 92.93, QED 0.28
Compound (SMILES): O=C(NC(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1
InChIKey: XNAYLDPWVNEEDR-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 560.44, ALogP 6.31, HBA 5, HBD 2, PSA 92.93, QED 0.22
Compound (SMILES): N#Cc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1
InChIKey: WHFLWTCNGKXBMR-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 551, ALogP 5.53, HBA 6, HBD 2, PSA 116.72, QED 0.25
Compound (SMILES): CCc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1
InChIKey: CCPSTOJWBYICMD-UHFFFAOYSA-N
Target: Probable G-protein coupled receptor 34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPC5
Assay: Antagonist activity against human lung GPR34 expressed in CHO cells co-expressing Galpha116 assessed as inhibition of lysophosphatidyl serine-induced increase in intracellular calcium level pre-incubated before lysophosphatidyl serine addition and measured after 180 secs by Fluo 3-AM dye based fluorescent assay
Measurement: IC50 <= 1000 nM (pChEMBL 6)
Descriptors: MW 554.05, ALogP 6.22, HBA 5, HBD 2, PSA 92.93, QED 0.21
Compound (SMILES): O=C(O)c1cc(-c2ccc(-c3cn4cccnc4n3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIKey: PHAWBNHWBDXQEM-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 509.49, ALogP 7.6, HBA 4, HBD 1, PSA 67.49, QED 0.27
Compound (SMILES): O=C(O)c1cc(-c2ccc(C3(O)CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIKey: KUYQFQSOXLDBGT-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 6.3 nM (pChEMBL 8.199999809265137)
Descriptors: MW 491.51, ALogP 6.46, HBA 3, HBD 3, PSA 69.56, QED 0.31
Compound (SMILES): O=C(O)c1cc(-c2csc(C(O)C(F)F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIKey: OCZVPEQORVEFIP-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 478.44, ALogP 7.25, HBA 3, HBD 2, PSA 57.53, QED 0.3
Compound (SMILES): O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)ccc(Cl)c3Cl)cc2c1
InChIKey: NQEABBDCQTYESL-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 7.3 nM (pChEMBL 8.140000343322754)
Descriptors: MW 463.77, ALogP 7.81, HBA 3, HBD 1, PSA 46.53, QED 0.31
Compound (SMILES): O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cncc3Cl)cc2c1
InChIKey: RMHVTDQQEHXVIA-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 430.31, ALogP 6.55, HBA 4, HBD 1, PSA 59.42, QED 0.39
Compound (SMILES): O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1
InChIKey: UIOYHEUAMZHNSK-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 9.4 nM (pChEMBL 8.029999732971191)
Descriptors: MW 429.32, ALogP 7.15, HBA 3, HBD 1, PSA 46.53, QED 0.37
Compound (SMILES): O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(F)cc(F)cc3F)cc2c1
InChIKey: GEIXUIQIFMLTDI-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 10.5 nM (pChEMBL 7.980000019073486)
Descriptors: MW 414.4, ALogP 6.26, HBA 3, HBD 1, PSA 46.53, QED 0.42
Compound (SMILES): Cc1cccc(C)c1COc1ccc2c(-c3ccc(C(=O)O)cc3)cc(C(=O)O)cc2c1
InChIKey: HTNBWCLUEGGNQA-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 426.47, ALogP 6.1, HBA 3, HBD 2, PSA 83.83, QED 0.39
Compound (SMILES): Cc1cccc(C)c1COc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(=O)O)cc2c1
InChIKey: ULTYPPRAODPPDK-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 11.9 nM (pChEMBL 7.920000076293945)
Descriptors: MW 460.55, ALogP 5.8, HBA 4, HBD 1, PSA 80.67, QED 0.39
Compound (SMILES): CS(=O)(=O)c1cc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cs1
InChIKey: LRFMVSVRYHFKNC-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 12.2 nM (pChEMBL 7.909999847412109)
Descriptors: MW 476.5, ALogP 6.36, HBA 4, HBD 1, PSA 71.44, QED 0.37
Compound (SMILES): CSc1ccc(-c2ccc3c(-c4ccc([C@@H](O)C(F)F)cc4)cc(C(=O)O)cc3c2)cc1
InChIKey: XXSNEPDKSGIQHM-XMMPIXPASA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 12.4 nM (pChEMBL 7.909999847412109)
Descriptors: MW 450.51, ALogP 6.89, HBA 3, HBD 2, PSA 57.53, QED 0.31
Compound (SMILES): O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(F)cccc3Cl)cc2c1
InChIKey: RASMVXFATOHKFZ-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 12.5 nM (pChEMBL 7.900000095367432)
Descriptors: MW 412.87, ALogP 6.64, HBA 3, HBD 1, PSA 46.53, QED 0.4
Compound (SMILES): O=C(O)c1cc(-c2ccc(-c3nnc[nH]3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIKey: CKCYJMRQTGHYFK-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 13.3 nM (pChEMBL 7.880000114440918)
Descriptors: MW 459.43, ALogP 6.68, HBA 3, HBD 2, PSA 78.87, QED 0.31
Compound (SMILES): C[S+]([O-])c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1
InChIKey: ADDVWRMSWQCRSW-UHFFFAOYSA-N
Target: Uncharacterized protein (SINGLE PROTEIN), Pan troglodytes
UniProt: A0A2J8P2M1
Assay: Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-expressing chimeric G-protein Gqi5 assessed as inhibition of UDP-glucose-induced Ca2+ signaling response incubated for 20 mins by FLIPR assay
Measurement: IC50 = 13.9 nM (pChEMBL 7.860000133514404)
Descriptors: MW 454.47, ALogP 6.63, HBA 2, HBD 1, PSA 60.36, QED 0.35
Compound (SMILES): CCc1sc(-c2ccc(C(=O)N(C)C)cc2)nc1COc1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12
InChIKey: BKKXFHYCELTMFP-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 by FLIPR assay
Measurement: EC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 589.7, ALogP 6.19, HBA 11, HBD 0, PSA 104.22, QED 0.2
Compound (SMILES): COc1cc(OCc2csc(N3CCC(F)(F)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: BFKVISSTOUFCBU-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 by FLIPR assay
Measurement: EC50 = 0.59 nM (pChEMBL 9.229999542236328)
Descriptors: MW 533.58, ALogP 5.49, HBA 11, HBD 0, PSA 87.15, QED 0.27
Compound (SMILES): COc1cc(OCc2csc(-c3cnccn3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: XUCQSXMAYFMYBR-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 by FLIPR assay
Measurement: EC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 492.54, ALogP 4.71, HBA 12, HBD 0, PSA 109.69, QED 0.31
Compound (SMILES): COc1cc(OCc2csc(-c3cc(C)on3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: IMXMVBFSNWACTO-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 by FLIPR assay
Measurement: EC50 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 495.54, ALogP 5.22, HBA 12, HBD 0, PSA 109.94, QED 0.29
Compound (SMILES): COc1cc(OCc2cscn2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ZFFMSCWJUSXCTP-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 by FLIPR assay
Measurement: EC50 = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 414.47, ALogP 4.26, HBA 10, HBD 0, PSA 83.91, QED 0.41
Compound (SMILES): COc1cc(OCc2csc(Br)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: LUHPSGPDOYZFJJ-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 by FLIPR assay
Measurement: EC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 493.36, ALogP 5.02, HBA 10, HBD 0, PSA 83.91, QED 0.33
Compound (SMILES): COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: KEEBLYWBELVGPQ-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity at PAR4 in human platelet-rich plasma assessed as inhibition of PAR4 AP AYPGKF-NH2-induced platelet aggregation by photo-turbidimetry assay
Measurement: IC50 = 3.35 nM (pChEMBL 8.470000267028809)
Descriptors: MW 561.65, ALogP 5.63, HBA 11, HBD 0, PSA 104.22, QED 0.24
Compound (SMILES): COC(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1
InChIKey: AXFCRSNHZKDBDB-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 by FLIPR assay
Measurement: EC50 = 0.45 nM (pChEMBL 9.350000381469727)
Descriptors: MW 548.6, ALogP 5.71, HBA 12, HBD 0, PSA 110.21, QED 0.22
Compound (SMILES): COc1cc(OCc2csc(-c3ccc(C(C)(C)O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: WILKSHHHRGQDLY-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity at full length 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 pretreated with compound for 30 mins followed by agonist addition for 30 mins by FLIPR method
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 548.65, ALogP 6.15, HBA 11, HBD 1, PSA 104.14, QED 0.24
Compound (SMILES): COCCN(C)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1
InChIKey: IMLVEYAVSNLRRR-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 by FLIPR assay
Measurement: EC50 = 0.46 nM (pChEMBL 9.34000015258789)
Descriptors: MW 605.7, ALogP 5.64, HBA 12, HBD 0, PSA 113.45, QED 0.19
Compound (SMILES): CNC(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1
InChIKey: GPISVVPOYSSYDY-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity at full length 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 pretreated with compound for 30 mins followed by agonist addition for 30 mins by FLIPR method
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 547.62, ALogP 5.28, HBA 11, HBD 1, PSA 113.01, QED 0.27
Compound (SMILES): COc1cc(OCc2csc(-c3ccc(C(=O)NC(C)(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: YRHULJIGBBVVHU-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 by FLIPR assay
Measurement: EC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 589.7, ALogP 6.45, HBA 11, HBD 1, PSA 113.01, QED 0.22
Compound (SMILES): COc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: SVVQHWZAWGZLLM-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 by FLIPR assay
Measurement: EC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 603.73, ALogP 6.75, HBA 11, HBD 0, PSA 104.22, QED 0.18
Compound (SMILES): COc1cc(OCc2nc(-c3ccnc(F)c3)sc2C(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: DEABRQRGKCVNEK-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 by FLIPR assay
Measurement: EC50 = 0.34 nM (pChEMBL 9.470000267028809)
Descriptors: MW 551.63, ALogP 6.58, HBA 11, HBD 0, PSA 96.8, QED 0.2
Compound (SMILES): COc1cc(OCc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: VJTWRONSOCNRSI-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 by FLIPR assay
Measurement: EC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 604.71, ALogP 7.19, HBA 12, HBD 0, PSA 110.21, QED 0.17
Compound (SMILES): COc1cc(OCc2nc(-c3ccc(C(=O)O)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: NAPYSXDOWLMEBA-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 by FLIPR assay
Measurement: EC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 548.6, ALogP 5.93, HBA 11, HBD 1, PSA 121.21, QED 0.25
Compound (SMILES): COc1cc(OCc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: BPKFYXPNQKOHIL-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 by FLIPR assay
Measurement: EC50 = 0.77 nM (pChEMBL 9.109999656677246)
Descriptors: MW 629.64, ALogP 6.52, HBA 11, HBD 1, PSA 113.01, QED 0.19
Compound (SMILES): COc1cc(OCc2nc(-c3ccc(C(=O)N(C)CC#N)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: RACJERJJTUONSE-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 by FLIPR assay
Measurement: EC50 = 0.51 nM (pChEMBL 9.289999961853027)
Descriptors: MW 600.68, ALogP 5.83, HBA 12, HBD 0, PSA 128.01, QED 0.19
Compound (SMILES): CNC(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c(C)s2)cc1
InChIKey: CXMAQMKRKKXXJI-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 by FLIPR assay
Measurement: EC50 = 0.82 nM (pChEMBL 9.09000015258789)
Descriptors: MW 561.65, ALogP 5.59, HBA 11, HBD 1, PSA 113.01, QED 0.26
Compound (SMILES): COc1cc(OCc2csc(CN(C)C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: FXEJGBIMFXHQGH-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 by FLIPR assay
Measurement: EC50 = 0.21 nM (pChEMBL 9.680000305175781)
Descriptors: MW 471.56, ALogP 4.32, HBA 11, HBD 0, PSA 87.15, QED 0.33
Compound (SMILES): COc1cc(OCc2csc(N3C[C@@H](C)O[C@@H](C)C3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: XCRBATARHOSVCH-OKILXGFUSA-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 by FLIPR assay
Measurement: EC50 = 0.26 nM (pChEMBL 9.59000015258789)
Descriptors: MW 527.63, ALogP 4.87, HBA 12, HBD 0, PSA 96.38, QED 0.29
Compound (SMILES): COc1cc(OCc2csc(C(C)C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: FFUXSEDNCPGYTG-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 by FLIPR assay
Measurement: EC50 = 0.51 nM (pChEMBL 9.289999961853027)
Descriptors: MW 456.55, ALogP 5.38, HBA 10, HBD 0, PSA 83.91, QED 0.32
Compound (SMILES): COc1cc(OCc2csc(N3CCSCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: XJEVMYBIMCMXDM-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 by FLIPR assay
Measurement: EC50 = 0.52 nM (pChEMBL 9.279999732971191)
Descriptors: MW 515.64, ALogP 4.81, HBA 12, HBD 0, PSA 87.15, QED 0.3
Compound (SMILES): COc1cc(OCc2csc(N3CCS(=O)(=O)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: PXGPCZPXSPIFKD-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 by FLIPR assay
Measurement: EC50 = 0.36 nM (pChEMBL 9.4399995803833)
Descriptors: MW 547.64, ALogP 3.49, HBA 13, HBD 0, PSA 121.29, QED 0.3
Compound (SMILES): COc1cc(OCc2csc(N3CC[S+]([O-])CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: IKMDGKVPHZIPKM-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 by FLIPR assay
Measurement: EC50 = 0.79 nM (pChEMBL 9.100000381469727)
Descriptors: MW 531.64, ALogP 3.83, HBA 12, HBD 0, PSA 110.21, QED 0.29
Compound (SMILES): COc1cc(OCc2csc(N3CCCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: OLFJSYFEVMJTBF-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 by FLIPR assay
Measurement: EC50 = 0.24 nM (pChEMBL 9.619999885559082)
Descriptors: MW 513.6, ALogP 4.48, HBA 12, HBD 0, PSA 96.38, QED 0.31
Compound (SMILES): COc1cc(OCc2csc(-c3ccc4c(c3)OCO4)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: HRXHOCVFNQZTBO-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 by FLIPR assay
Measurement: EC50 = 0.67 nM (pChEMBL 9.170000076293945)
Descriptors: MW 534.58, ALogP 5.65, HBA 12, HBD 0, PSA 102.37, QED 0.26
Compound (SMILES): COc1cc(OCc2csc(CCC(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: OXQIVFNCLWSTQC-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 by FLIPR assay
Measurement: EC50 = 0.33 nM (pChEMBL 9.479999542236328)
Descriptors: MW 510.52, ALogP 5.75, HBA 10, HBD 0, PSA 83.91, QED 0.26
Compound (SMILES): COc1cc(OCc2csc(C3CCSCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: FKSXGCCUVMDANZ-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 by FLIPR assay
Measurement: EC50 = 0.47 nM (pChEMBL 9.329999923706055)
Descriptors: MW 514.65, ALogP 5.87, HBA 11, HBD 0, PSA 83.91, QED 0.27
Compound (SMILES): COc1cc(OCc2csc(CCC3CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: BWYSWPMLKWHGGE-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 by FLIPR assay
Measurement: EC50 = 0.38 nM (pChEMBL 9.420000076293945)
Descriptors: MW 482.59, ALogP 5.6, HBA 10, HBD 0, PSA 83.91, QED 0.27
Compound (SMILES): COc1cc(OCc2csc(-c3cccc(C#N)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: VPHPJLVFCZTQLZ-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 by FLIPR assay
Measurement: EC50 = 0.64 nM (pChEMBL 9.1899995803833)
Descriptors: MW 515.58, ALogP 5.8, HBA 11, HBD 0, PSA 107.7, QED 0.26
Compound (SMILES): COc1cc(OCc2csc(-c3cccc(OC(C)=O)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: REOYYKYDGAAYQJ-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 by FLIPR assay
Measurement: EC50 = 0.48 nM (pChEMBL 9.319999694824219)
Descriptors: MW 548.6, ALogP 5.85, HBA 12, HBD 0, PSA 110.21, QED 0.17
Compound (SMILES): COc1cc(OCc2csc(-c3cccc(O)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: GFUKQAUBJUIHDR-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 by FLIPR assay
Measurement: EC50 = 0.63 nM (pChEMBL 9.199999809265137)
Descriptors: MW 506.57, ALogP 5.63, HBA 11, HBD 1, PSA 104.14, QED 0.3
Compound (SMILES): COc1cc(OCc2csc(-c3ccc(C#N)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: FJAUMTRBBJHIKT-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 by FLIPR assay
Measurement: EC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 515.58, ALogP 5.8, HBA 11, HBD 0, PSA 107.7, QED 0.26
Compound (SMILES): COc1cc(OCc2csc(-c3cccc(C(=O)N(C)C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: DAHKOHGGOXTFGR-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 by FLIPR assay
Measurement: EC50 = 0.81 nM (pChEMBL 9.09000015258789)
Descriptors: MW 561.65, ALogP 5.63, HBA 11, HBD 0, PSA 104.22, QED 0.24
Compound (SMILES): COc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: XNWDVNMZIFUADU-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 by FLIPR assay
Measurement: EC50 = 0.75 nM (pChEMBL 9.119999885559082)
Descriptors: MW 575.67, ALogP 5.93, HBA 11, HBD 0, PSA 104.22, QED 0.22
Compound (SMILES): COc1cc(OCc2csc(-c3ccnc(F)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: SXPDDHWGSHXZBG-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 by FLIPR assay
Measurement: EC50 = 0.34 nM (pChEMBL 9.470000267028809)
Descriptors: MW 509.54, ALogP 5.46, HBA 11, HBD 0, PSA 96.8, QED 0.26
Compound (SMILES): COc1cc(OCc2cccc(C3=CCOCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: SRNIWQIVVVDOLO-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 = 0.71 nM (pChEMBL 9.149999618530273)
Descriptors: MW 489.55, ALogP 5.6, HBA 9, HBD 0, PSA 80.25, QED 0.29
Compound (SMILES): COc1cc(OCc2cccc(C3=CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: SDWWUTMASIQJMR-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 = 2.21 nM (pChEMBL 8.65999984741211)
Descriptors: MW 487.58, ALogP 6.76, HBA 8, HBD 0, PSA 71.02, QED 0.25
Compound (SMILES): COc1cc(OCc2cccc(C3CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: IMXYRBMHUDJBSE-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 = 0.69 nM (pChEMBL 9.15999984741211)
Descriptors: MW 489.6, ALogP 6.85, HBA 8, HBD 0, PSA 71.02, QED 0.25
Compound (SMILES): COc1cc(OCc2cccc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey: ULAVANHVRNZHHE-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 = 0.23 nM (pChEMBL 9.640000343322754)
Descriptors: MW 555.62, ALogP 5.56, HBA 10, HBD 0, PSA 104.22, QED 0.24