lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1nc(NC2Cc3ccccc3C2)cc(-c2ccc3ncsc3c2)n1
InChIKey: FSXLEZUYPPXWDI-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 358.47, ALogP 4.64, HBA 5, HBD 1, PSA 50.7, QED 0.58
Compound (SMILES): CC(C)CCC(C)NC1C=C(c2ccc3ncsc3c2)N=CN1C
InChIKey: KSWVWHLHTUQESH-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 342.51, ALogP 4.35, HBA 5, HBD 1, PSA 40.52, QED 0.85
Compound (SMILES): Cc1nc(NCCc2c[nH]cn2)cc(-c2ccc3ncsc3c2)n1
InChIKey: WOBCMWKMHYVSPX-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 336.42, ALogP 3.44, HBA 6, HBD 2, PSA 79.38, QED 0.58
Compound (SMILES): Cc1nc(NC[C@@H](C)c2ccccc2)cc(-c2ccc3ncsc3c2)n1
InChIKey: FNBRRMWFNRPWBY-CQSZACIVSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 360.49, ALogP 5.28, HBA 5, HBD 1, PSA 50.7, QED 0.53
Compound (SMILES): Cc1nc(NCCCC(C)(C)CO)cc(-c2ccc3ncsc3c2)n1
InChIKey: BJSVZEMODISAHE-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 356.5, ALogP 4.27, HBA 6, HBD 2, PSA 70.93, QED 0.62
Compound (SMILES): Cc1nc(NCc2cccc(-n3cccc3)c2)cc(-c2ccc3ncsc3c2)n1
InChIKey: BNRPCZIQXCWYGF-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 397.51, ALogP 5.46, HBA 6, HBD 1, PSA 55.63, QED 0.43
Compound (SMILES): Cc1nc(NCC2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc3ncsc3c2)n1
InChIKey: PFKLMSXHPDYKDD-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 439.59, ALogP 5.12, HBA 7, HBD 1, PSA 80.24, QED 0.61
Compound (SMILES): Cc1nc(NCCc2ccncc2)cc(-c2ccc3ncsc3c2)n1
InChIKey: OZAAQKDJZOAZMI-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 347.45, ALogP 4.11, HBA 6, HBD 1, PSA 63.59, QED 0.59
Compound (SMILES): Cc1nc(NCc2cc(-c3ccccc3)no2)cc(-c2ccc3ncsc3c2)n1
InChIKey: KTZTUERJNXAQSL-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 399.48, ALogP 5.33, HBA 7, HBD 1, PSA 76.73, QED 0.43
Compound (SMILES): Cc1nc(NCCCN(C)c2ccccc2)cc(-c2ccc3ncsc3c2)n1
InChIKey: WZZHKPGTQPWGJZ-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 389.53, ALogP 5, HBA 6, HBD 1, PSA 53.94, QED 0.45
Compound (SMILES): Cc1nc(NC(C)c2cccc(C#N)c2)cc(-c2ccc3ncsc3c2)n1
InChIKey: MKGUTEWRKVFGAW-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring ATP consumption incubated for 3 hrs by luciferase-luciferin-coupled chemiluminescence assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 371.47, ALogP 5.11, HBA 6, HBD 1, PSA 74.49, QED 0.54
Compound (SMILES): Cc1nc(CCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3CC[C@H]2C32CC2)[nH]c1C
InChIKey: ULJGTJXJUVPDSE-KOUHRCEDSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 8.3 nM (pChEMBL 8.079999923706055)
Descriptors: MW 485.43, ALogP 4.14, HBA 3, HBD 3, PSA 86.88, QED 0.58
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1
InChIKey: PZDOPICIJZLKMN-CIAFKFPVSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 0.35 nM (pChEMBL 9.460000038146973)
Descriptors: MW 488.47, ALogP 4.43, HBA 3, HBD 2, PSA 61.44, QED 0.53
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)nc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: NFKHFWRUVOLEIQ-KOUHRCEDSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 487.44, ALogP 3.6, HBA 4, HBD 2, PSA 74.33, QED 0.33
Compound (SMILES): COc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1
InChIKey: ALJNZUKHKCFYOY-KAOXLYBCSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 437.58, ALogP 3.45, HBA 4, HBD 2, PSA 70.67, QED 0.46
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Cl)nc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: FOOJSZIXVMLTSW-KOUHRCEDSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 7.8 nM (pChEMBL 8.109999656677246)
Descriptors: MW 442.99, ALogP 3.49, HBA 4, HBD 2, PSA 74.33, QED 0.37
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HCORAPKMMGFVPU-IYRWYFENSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 10 nM (pChEMBL 8)
Descriptors: MW 464.64, ALogP 4.06, HBA 5, HBD 2, PSA 74.33, QED 0.46
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: LOVLHJRODMKSJW-KAOXLYBCSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 500.48, ALogP 3.89, HBA 3, HBD 2, PSA 61.44, QED 0.4
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cn2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: XSVOBAOSGSWLCW-KOUHRCEDSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 487.44, ALogP 3.6, HBA 4, HBD 2, PSA 74.33, QED 0.43
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HEJWZFMYFRUJAC-CYGHRXIMSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 6.4 nM (pChEMBL 8.1899995803833)
Descriptors: MW 493.47, ALogP 3.66, HBA 5, HBD 2, PSA 74.33, QED 0.43
Compound (SMILES): Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)nc1
InChIKey: XRUPFZDXQIQWOG-NPDDRXJXSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 422.57, ALogP 3.15, HBA 4, HBD 2, PSA 74.33, QED 0.5
Compound (SMILES): CCCCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: AYWMVAYLRIHGSD-DOIPELPJSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 79 nM (pChEMBL 7.099999904632568)
Descriptors: MW 401.6, ALogP 3.11, HBA 3, HBD 2, PSA 61.44, QED 0.41
Compound (SMILES): Cc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1
InChIKey: KHJDFOOBTYXRIC-UEQSERJNSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 435.61, ALogP 3.43, HBA 3, HBD 2, PSA 61.44, QED 0.46
Compound (SMILES): COC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: LTXRBAGUQVLJBQ-PIKOESSRSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 417.55, ALogP 1.49, HBA 5, HBD 2, PSA 87.74, QED 0.32
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCC2CCCCC2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: BTPHBDNCVTXFJU-KAOXLYBCSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 427.63, ALogP 3.5, HBA 3, HBD 2, PSA 61.44, QED 0.44
Compound (SMILES): CC1CCC(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)CC1
InChIKey: NOKCWRFTWKMNHX-IMPGFCHJSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 427.63, ALogP 3.5, HBA 3, HBD 2, PSA 61.44, QED 0.46
Compound (SMILES): CC(=O)CCCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: HJWILZNILADJLW-DXBBTUNJSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 429.61, ALogP 2.68, HBA 4, HBD 2, PSA 78.51, QED 0.37
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ncc([N+](=O)[O-])s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HXCVIDAELLEBAF-CYGHRXIMSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 459.57, ALogP 2.81, HBA 7, HBD 2, PSA 117.47, QED 0.25
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ncc(Cl)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: IETMKCIIHPTWAF-CYGHRXIMSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 121 nM (pChEMBL 6.920000076293945)
Descriptors: MW 449.02, ALogP 3.56, HBA 5, HBD 2, PSA 74.33, QED 0.47
Compound (SMILES): N#Cc1cnc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)s1
InChIKey: GVFGJNIWCWACKS-FCGDIQPGSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 166 nM (pChEMBL 6.78000020980835)
Descriptors: MW 439.59, ALogP 2.77, HBA 6, HBD 2, PSA 98.12, QED 0.48
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccco2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HRMYKLQHPQRKSD-PLACYPQZSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 173 nM (pChEMBL 6.760000228881836)
Descriptors: MW 411.55, ALogP 2.72, HBA 4, HBD 2, PSA 74.58, QED 0.48
Compound (SMILES): CC(NC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1)c1ccc(Br)cc1
InChIKey: UEIUIRXBMZYFBR-PQMZZMCRSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 898 nM (pChEMBL 6.050000190734863)
Descriptors: MW 514.51, ALogP 4.45, HBA 3, HBD 2, PSA 61.44, QED 0.38
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: ZWDSBPCJRUSQMP-CIAFKFPVSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 263 nM (pChEMBL 6.579999923706055)
Descriptors: MW 491.55, ALogP 4.34, HBA 4, HBD 2, PSA 70.67, QED 0.4
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCOc2ccccc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: FUKKSEJRPRNGPT-UEQSERJNSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 319 nM (pChEMBL 6.5)
Descriptors: MW 451.61, ALogP 3, HBA 4, HBD 2, PSA 70.67, QED 0.4
Compound (SMILES): CC(C)CCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: KUJNPNPQWLVBBQ-PLACYPQZSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 352 nM (pChEMBL 6.449999809265137)
Descriptors: MW 401.6, ALogP 2.97, HBA 3, HBD 2, PSA 61.44, QED 0.44
Compound (SMILES): CCCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: YDGLHCZRCYMSLI-MTQWCTHYSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 365 nM (pChEMBL 6.440000057220459)
Descriptors: MW 387.57, ALogP 2.72, HBA 3, HBD 2, PSA 61.44, QED 0.45
Compound (SMILES): Cc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)o1
InChIKey: UVDCSWPZJOIVHG-CIAFKFPVSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 556 nM (pChEMBL 6.25)
Descriptors: MW 425.57, ALogP 3.02, HBA 4, HBD 2, PSA 74.58, QED 0.47
Compound (SMILES): Cc1nc2ccc(NC(=O)[C@H]3[C@H](C(=O)NCCCCN4CCCC4)[C@H]4C=C[C@@H]3C43CC3)cc2s1
InChIKey: KKLAOANTDPXXKF-WNXIRNOKSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 478.66, ALogP 4.36, HBA 5, HBD 2, PSA 74.33, QED 0.44
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccccc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: LZNDNHQRUPFTIR-UEQSERJNSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 731 nM (pChEMBL 6.139999866485596)
Descriptors: MW 435.61, ALogP 3.17, HBA 3, HBD 2, PSA 61.44, QED 0.44
Compound (SMILES): CC(=O)CCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: KRUIPFLVJYRFLV-PLACYPQZSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 748 nM (pChEMBL 6.130000114440918)
Descriptors: MW 415.58, ALogP 2.29, HBA 4, HBD 2, PSA 78.51, QED 0.4
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCCn2ccnc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: BRZHMVLMHSIEMY-CIAFKFPVSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 835 nM (pChEMBL 6.079999923706055)
Descriptors: MW 439.6, ALogP 2.21, HBA 5, HBD 2, PSA 79.26, QED 0.41
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2cnc(Cl)nc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: AACGGNAFRLCLCY-FCGDIQPGSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 1330 nM (pChEMBL 5.880000114440918)
Descriptors: MW 443.98, ALogP 2.89, HBA 5, HBD 2, PSA 87.22, QED 0.37
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2cccc(Br)c2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: VRQRBHIDDPMMJZ-KAOXLYBCSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 2060 nM (pChEMBL 5.690000057220459)
Descriptors: MW 500.48, ALogP 3.89, HBA 3, HBD 2, PSA 61.44, QED 0.4
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: SDYOQFYOKBWSIM-GMQQQROESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 2270 nM (pChEMBL 5.639999866485596)
Descriptors: MW 464.64, ALogP 4.06, HBA 5, HBD 2, PSA 74.33, QED 0.46
Compound (SMILES): CC(C)(C)c1cc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)no1
InChIKey: JXGWSKPPRMJBTR-GMQQQROESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 3650 nM (pChEMBL 5.440000057220459)
Descriptors: MW 454.62, ALogP 3.73, HBA 5, HBD 2, PSA 87.47, QED 0.46
Compound (SMILES): Cc1nsc2cc(NC(=O)[C@H]3[C@H](C(=O)NCCCCN4CCCC4)[C@H]4C=C[C@@H]3C43CC3)ccc12
InChIKey: OGBMXKUJMIHJEQ-CBJLPSGESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 4420 nM (pChEMBL 5.360000133514404)
Descriptors: MW 478.66, ALogP 4.36, HBA 5, HBD 2, PSA 74.33, QED 0.44
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: PIOMIMOYAMEROZ-CBJLPSGESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 7410 nM (pChEMBL 5.130000114440918)
Descriptors: MW 446.6, ALogP 3.93, HBA 3, HBD 3, PSA 77.23, QED 0.42
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2nc3ccc(F)cc3s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DSJJURFOQPJODE-GMQQQROESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 7600 nM (pChEMBL 5.119999885559082)
Descriptors: MW 482.63, ALogP 4.19, HBA 5, HBD 2, PSA 74.33, QED 0.44
Compound (SMILES): CCC(CC)CNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: MUMIZFPQDFMBRW-CIAFKFPVSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 8090 nM (pChEMBL 5.090000152587891)
Descriptors: MW 415.62, ALogP 3.36, HBA 3, HBD 2, PSA 61.44, QED 0.4
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: BTXHVXZYPFMNGF-CBJLPSGESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 8440 nM (pChEMBL 5.070000171661377)
Descriptors: MW 525.12, ALogP 5.22, HBA 5, HBD 2, PSA 74.33, QED 0.35
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2cccc3nonc23)[C@@H]2C=C[C@H]1C21CC1
InChIKey: JRDQNEYGUJYTMI-HRQSHJORSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 9120 nM (pChEMBL 5.039999961853027)
Descriptors: MW 449.56, ALogP 2.98, HBA 6, HBD 2, PSA 100.36, QED 0.47
Compound (SMILES): CC(C)(C)c1csc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)n1
InChIKey: RFFBYOBLYAPUQW-KOUHRCEDSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 9630 nM (pChEMBL 5.019999980926514)
Descriptors: MW 470.68, ALogP 4.2, HBA 5, HBD 2, PSA 74.33, QED 0.44
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2nc(-c3ccccc3)ns2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: YVFKYMSXMWZPHA-CIAFKFPVSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 9890 nM (pChEMBL 5)
Descriptors: MW 491.66, ALogP 3.96, HBA 6, HBD 2, PSA 87.22, QED 0.41
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DKJNQTCOEFTWHM-GMQQQROESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 499.08, ALogP 4.71, HBA 5, HBD 2, PSA 74.33, QED 0.41
Compound (SMILES): Cc1cc2ccccc2n1CCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: UDIIEIFKICUKTG-QEFMBMMRSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 502.7, ALogP 4.28, HBA 4, HBD 2, PSA 66.37, QED 0.36
Compound (SMILES): Cn1c(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)nc2ccccc21
InChIKey: IOVDEXHUOCIIHV-WSAILGMDSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 489.66, ALogP 3.05, HBA 5, HBD 2, PSA 79.26, QED 0.4
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCn2ccc3ccccc32)[C@@H]2C=C[C@H]1C21CC1
InChIKey: BTBQJDVHEWEVFA-PZXVYJQKSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 474.65, ALogP 3.58, HBA 4, HBD 2, PSA 66.37, QED 0.41
Compound (SMILES): COc1ccccc1CCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: NJGIPXNWROKMFV-PEISPCAHSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 465.64, ALogP 3.17, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): Cc1cc(C)n(CCC(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)n1
InChIKey: IGLCSGFXHNQMED-JFYQVNSESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 497.44, ALogP 4.24, HBA 4, HBD 2, PSA 76.02, QED 0.56
Compound (SMILES): O=C(NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cnoc1-c1ccccc1
InChIKey: RUCIVYSWYJLCBO-LGKPFJOYSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 518.41, ALogP 5.3, HBA 4, HBD 2, PSA 84.23, QED 0.43
Compound (SMILES): O=C(CCCN1CCCC1=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: YQBIBOXLZIXPLS-UGTOYMOASA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 500.44, ALogP 3.73, HBA 3, HBD 2, PSA 78.51, QED 0.53
Compound (SMILES): O=C(Cc1ccccc1Cl)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: SJCDPFYLLWTMCD-UGTOYMOASA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 499.84, ALogP 5.23, HBA 2, HBD 2, PSA 58.2, QED 0.53
Compound (SMILES): COCCC(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: LQKDIPXDOQIQON-VXNCWWDNSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 433.35, ALogP 3.37, HBA 3, HBD 2, PSA 67.43, QED 0.65
Compound (SMILES): CN(C)C(=O)CCC(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: LMEAEEJEFUBCOS-WIRSXHRWSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 474.4, ALogP 3.2, HBA 3, HBD 2, PSA 78.51, QED 0.6
Compound (SMILES): CC1(C(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1(Cl)Cl
InChIKey: SVGUESWQUNJQFP-XXUDDRHISA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 498.25, ALogP 4.92, HBA 2, HBD 2, PSA 58.2, QED 0.45
Compound (SMILES): COC(=O)CCCC(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: BEKYWVXPQZBUBP-WIRSXHRWSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 475.38, ALogP 3.68, HBA 4, HBD 2, PSA 84.5, QED 0.44
Compound (SMILES): CCCCC(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: NPAAYIKMSCJDHQ-XSYGEPLQSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 431.37, ALogP 4.52, HBA 2, HBD 2, PSA 58.2, QED 0.62
Compound (SMILES): Cc1nc(CC(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)c(C)s1
InChIKey: ZEBDHWJXZZUPDE-IWQHBPENSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 500.46, ALogP 4.65, HBA 4, HBD 2, PSA 71.09, QED 0.57
Compound (SMILES): O=C(NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1ccnn1-c1ccccc1
InChIKey: QDLZAVQOCYUGIB-SVPADUAOSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 517.43, ALogP 4.83, HBA 4, HBD 2, PSA 76.02, QED 0.46
Compound (SMILES): NC(=O)CCC(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: WFVRQTNYSBKNLT-JEWRLFTDSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 114 nM (pChEMBL 6.940000057220459)
Descriptors: MW 446.35, ALogP 2.6, HBA 3, HBD 3, PSA 101.29, QED 0.56
Compound (SMILES): Cc1ccncc1C(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HVBDFKQFJREXRY-CGXNFDGLSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 118 nM (pChEMBL 6.929999828338623)
Descriptors: MW 466.38, ALogP 4.35, HBA 3, HBD 2, PSA 71.09, QED 0.64
Compound (SMILES): CC(C)C(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: PGKKHTWCOPFIEV-BDXSIMOUSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 417.35, ALogP 3.99, HBA 2, HBD 2, PSA 58.2, QED 0.71
Compound (SMILES): CCN1CCC(C(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: OHBXUXJDWBWHOB-CZYKHXBRSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 131 nM (pChEMBL 6.880000114440918)
Descriptors: MW 486.45, ALogP 4.06, HBA 3, HBD 2, PSA 61.44, QED 0.6
Compound (SMILES): O=C(CCc1cccnc1)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DUODEAYTJBLGDD-JFYQVNSESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 136 nM (pChEMBL 6.869999885559082)
Descriptors: MW 480.41, ALogP 4.36, HBA 3, HBD 2, PSA 71.09, QED 0.58
Compound (SMILES): COCCC(=O)N(C)C[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: XTJDZZDWICIFGH-XSYGEPLQSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 155 nM (pChEMBL 6.809999942779541)
Descriptors: MW 447.37, ALogP 3.71, HBA 3, HBD 1, PSA 58.64, QED 0.65
Compound (SMILES): O=C(NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cccc(F)c1Cl
InChIKey: RVSAIXUHCIXXFY-XSYGEPLQSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 158 nM (pChEMBL 6.800000190734863)
Descriptors: MW 503.8, ALogP 5.44, HBA 2, HBD 2, PSA 58.2, QED 0.53
Compound (SMILES): O=C(CCCN1CCCC1)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: JLEUVZJLNRZHCQ-JFYQVNSESA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 486.45, ALogP 4.21, HBA 3, HBD 2, PSA 61.44, QED 0.54
Compound (SMILES): Cc1cc(C(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)nn1C
InChIKey: LADFJSZRXFAION-XSYGEPLQSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 115 nM (pChEMBL 6.940000057220459)
Descriptors: MW 469.38, ALogP 3.69, HBA 4, HBD 2, PSA 76.02, QED 0.66
Compound (SMILES): O=C(NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C1CCCC1
InChIKey: STHGOBBIGPVVNN-ZRNYENFQSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 443.39, ALogP 4.52, HBA 2, HBD 2, PSA 58.2, QED 0.66
Compound (SMILES): Cc1nc(CC(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)cs1
InChIKey: GMDRVBFTYMHGAI-BNDYYXHWSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 252 nM (pChEMBL 6.599999904632568)
Descriptors: MW 486.44, ALogP 4.34, HBA 4, HBD 2, PSA 71.09, QED 0.6
Compound (SMILES): CN(C)CC(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: YVYGKQURTXOCFT-VXNCWWDNSA-N
Target: N-formyl peptide receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25090
Assay: Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 265 nM (pChEMBL 6.579999923706055)
Descriptors: MW 432.36, ALogP 2.89, HBA 3, HBD 2, PSA 61.44, QED 0.68
Compound (SMILES): COc1cc2nc(NCCCN3CCCC3)c(-c3ccncc3)nc2cc1OC
InChIKey: GVABTIHOCTZMDR-UHFFFAOYSA-N
Target: Phosphoglycerate kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00558
Assay: Inhibition of PGK1 (unknown origin) pre-incubated with enzyme before 3-phosphoglycerate substrate addition and incubated for 30 mins in presence of NADH and ATP by glyceraldehyde P-dehydrogenase coupling based NADH fluorescence assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 393.49, ALogP 3.61, HBA 7, HBD 1, PSA 72.4, QED 0.59
Compound (SMILES): CCNc1nc2cc(Cl)c(N3CC(CCO)C3)cc2nc1NCC
InChIKey: NAHHFOYWWAAOSZ-UHFFFAOYSA-N
Target: Phosphoglycerate kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00558
Assay: Inhibition of PGK1 (unknown origin) pre-incubated with enzyme before 3-phosphoglycerate substrate addition and incubated for 30 mins in presence of NADH and ATP by glyceraldehyde P-dehydrogenase coupling based NADH fluorescence assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 349.87, ALogP 2.97, HBA 6, HBD 3, PSA 73.31, QED 0.71
Compound (SMILES): CCNc1nc2cc(OC)c(OC)cc2nc1-c1ccncc1
InChIKey: KQKXUHWXNHWTRK-UHFFFAOYSA-N
Target: Phosphoglycerate kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00558
Assay: Inhibition of PGK1 (unknown origin) pre-incubated with enzyme before 3-phosphoglycerate substrate addition and incubated for 30 mins in presence of NADH and ATP by glyceraldehyde P-dehydrogenase coupling based NADH fluorescence assay
Measurement: IC50 = 6660 nM (pChEMBL 5.179999828338623)
Descriptors: MW 310.36, ALogP 3.14, HBA 6, HBD 1, PSA 69.16, QED 0.78
Compound (SMILES): CN1CCCC1CCOCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: KLLXXXKFMLXQBN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 436.63, ALogP 5.08, HBA 6, HBD 0, PSA 41.49, QED 0.48
Compound (SMILES): Cc1csc2ncnc(N3CCC(COCCC4CCCN4C)CC3)c12
InChIKey: BQTKYNSJOZETJQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 374.55, ALogP 3.72, HBA 6, HBD 0, PSA 41.49, QED 0.72
Compound (SMILES): CN1CCCC1CCOCC1CCN(c2ncnc3sccc23)CC1
InChIKey: GRJXNQIZQDSQPC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 360.53, ALogP 3.41, HBA 6, HBD 0, PSA 41.49, QED 0.74
Compound (SMILES): Cc1sc2ncnc(N3CCC(COCCC4CCCN4C)CC3)c2c1C
InChIKey: QLSXCRNEKFKMKC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 388.58, ALogP 4.03, HBA 6, HBD 0, PSA 41.49, QED 0.7
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: JCOAETVVTPULPY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 422.6, ALogP 4.69, HBA 6, HBD 0, PSA 41.49, QED 0.52
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCOCC5)CC4)c23)cc1
InChIKey: KIFZIZYRYFINRP-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 438.6, ALogP 3.92, HBA 7, HBD 0, PSA 50.72, QED 0.52
Compound (SMILES): COC(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1CCCN1C
InChIKey: DNTTVASNLYWRSO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 422.6, ALogP 4.68, HBA 6, HBD 0, PSA 41.49, QED 0.6
Compound (SMILES): CN(C)CCCOCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: XEMMBUQXRZTBTB-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 410.59, ALogP 4.54, HBA 6, HBD 0, PSA 41.49, QED 0.51