lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)Cc1cc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)no1
InChIKey: GZMJQNSLXDYXKL-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 = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 468.64, ALogP 3.31, HBA 5, HBD 2, PSA 87.47, QED 0.38
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2csc(Br)c2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DKORGRRTOLTCQX-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 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 506.51, ALogP 3.95, HBA 4, HBD 2, PSA 61.44, QED 0.39
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: OROKREMTLDVXJJ-IRMYBRCSSA-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 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 518.47, ALogP 4.03, HBA 3, HBD 2, PSA 61.44, QED 0.38
Compound (SMILES): CN(C)C(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HJIHAIULVASTFD-UKBAYJJMSA-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 = 3.4 nM (pChEMBL 8.470000267028809)
Descriptors: MW 460.37, ALogP 2.81, HBA 3, HBD 2, PSA 78.51, QED 0.64
Compound (SMILES): NC(=O)CCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1.O=CO
InChIKey: JPRCZFPRLNYHAY-VKCGSTBTSA-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 = 7.3 nM (pChEMBL 8.140000343322754)
Descriptors: MW 446.35, ALogP 2.6, HBA 3, HBD 3, PSA 101.29, QED 0.44
Compound (SMILES): O=C(NCCC(=O)N1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: FFUAUBSXLIXLDP-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 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 486.41, ALogP 3.34, HBA 3, HBD 2, PSA 78.51, QED 0.61
Compound (SMILES): NC(=O)CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: OEKLBNSBKQZBBX-OCVGTWLNSA-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 = 6.5 nM (pChEMBL 8.1899995803833)
Descriptors: MW 418.29, ALogP 1.82, HBA 3, HBD 3, PSA 101.29, QED 0.64
Compound (SMILES): CCN1CCN(CCCCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: QKQZSPOQOGAQBO-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 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 529.52, ALogP 3.75, HBA 4, HBD 2, PSA 64.68, QED 0.38
Compound (SMILES): O=C(NCCCCN1CCCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: KBXVDFCRVPEDDY-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 = 0.07 nM (pChEMBL 10.149999618530273)
Descriptors: MW 500.48, ALogP 4.6, HBA 3, HBD 2, PSA 61.44, QED 0.41
Compound (SMILES): O=C(NCCCCN1CCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: JVUITSTUUPELFY-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 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 472.43, ALogP 3.82, HBA 3, HBD 2, PSA 61.44, QED 0.45
Compound (SMILES): O=C(NCCCCN1CCOCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: CLDWHNDGDOUFEH-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 = 0.53 nM (pChEMBL 9.279999732971191)
Descriptors: MW 502.45, ALogP 3.44, HBA 4, HBD 2, PSA 70.67, QED 0.42
Compound (SMILES): CN1CCCN(CCCCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: YVKHGTZYCVGOAW-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 = 0.89 nM (pChEMBL 9.050000190734863)
Descriptors: MW 529.52, ALogP 3.75, HBA 4, HBD 2, PSA 64.68, QED 0.4
Compound (SMILES): CN1CCN(CCCCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: LMRPYSPIPOVVKQ-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 = 4.1 nM (pChEMBL 8.390000343322754)
Descriptors: MW 515.5, ALogP 3.36, HBA 4, HBD 2, PSA 64.68, QED 0.41
Compound (SMILES): O=C(NCCCC(=O)N1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: SPXQWKXWAZXQGK-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 = 6.1 nM (pChEMBL 8.210000038146973)
Descriptors: MW 500.44, ALogP 3.73, HBA 3, HBD 2, PSA 78.51, QED 0.44
Compound (SMILES): O=C(NCCOCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: UVNARXXLUOZHRR-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 = 0.72 nM (pChEMBL 9.140000343322754)
Descriptors: MW 502.45, ALogP 3.44, HBA 4, HBD 2, PSA 70.67, QED 0.4
Compound (SMILES): O=C(N[C@@H]1CC[C@@H](CN2CCCC2)OC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: UYKKRXUJKYPTRZ-AMYLDRNJSA-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 = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 528.49, ALogP 3.98, HBA 4, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): CC(=O)N1CCN(CCCCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: QZRKIRKRRQSZNT-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 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 543.51, ALogP 3.28, HBA 4, HBD 2, PSA 81.75, QED 0.39
Compound (SMILES): O=C(N[C@H]1CC[C@@H](CN2CCCC2)CC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HIHUCTYQQTWJON-MWXQHUHWSA-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 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 526.52, ALogP 4.99, HBA 3, HBD 2, PSA 61.44, QED 0.51
Compound (SMILES): O=C(NCCCCN1CCC[C@H]1F)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: GWXRFJVOIMDOHZ-CDJZJNNCSA-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 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 504.44, ALogP 4.5, HBA 3, HBD 2, PSA 61.44, QED 0.31
Compound (SMILES): O=C(NCCCCN1CCC[C@@H]1F)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: GWXRFJVOIMDOHZ-PVIWCNJMSA-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 504.44, ALogP 4.5, HBA 3, HBD 2, PSA 61.44, QED 0.31
Compound (SMILES): O=C(NCCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: LZKVXXNIELTNRM-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 = 0.66 nM (pChEMBL 9.180000305175781)
Descriptors: MW 500.48, ALogP 4.6, HBA 3, HBD 2, PSA 61.44, QED 0.39
Compound (SMILES): O=C(N[C@H]1CC[C@H](CN2CCCC2)CC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HIHUCTYQQTWJON-WNZIGCECSA-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 = 208 nM (pChEMBL 6.679999828338623)
Descriptors: MW 526.52, ALogP 4.99, HBA 3, HBD 2, PSA 61.44, QED 0.51
Compound (SMILES): CNC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: NOWNMNSNCSYAOV-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 = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 446.35, ALogP 2.47, HBA 3, HBD 3, PSA 87.3, QED 0.59
Compound (SMILES): CC(=O)c1ncc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)s1
InChIKey: KBDOEVCFKZEYIQ-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 = 994 nM (pChEMBL 6)
Descriptors: MW 470.64, ALogP 2.78, HBA 6, HBD 2, PSA 91.4, QED 0.31
Compound (SMILES): COc1cc(F)c(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c(F)c1.O=CO
InChIKey: PPKDRWJVMXPGHI-ZBIVHNQWSA-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 = 912 nM (pChEMBL 6.039999961853027)
Descriptors: MW 487.59, ALogP 3.41, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): COc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c(F)c1F.O=CO
InChIKey: FLLAEHUGJUILNN-FKFVOXPGSA-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 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 487.59, ALogP 3.41, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): COc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1F.O=CO
InChIKey: BSKLOKOSBSIJBH-ZBIVHNQWSA-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 = 389 nM (pChEMBL 6.409999847412109)
Descriptors: MW 469.6, ALogP 3.27, HBA 4, HBD 2, PSA 70.67, QED 0.41
Compound (SMILES): COc1c(F)cc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1F.O=CO
InChIKey: YQOAQHUASJCZKH-AZHYNHOSSA-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 = 119 nM (pChEMBL 6.920000076293945)
Descriptors: MW 487.59, ALogP 3.41, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Cl)cc2)[C@@H]2C=C[C@H]1C21CC1.O=CO
InChIKey: SNBRPJQBHGKMMN-AMMBCFRFSA-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 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 456.03, ALogP 3.78, HBA 3, HBD 2, PSA 61.44, QED 0.44
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H]2C=C[C@H]1C21CC1.O=CO
InChIKey: DVMVXJVFPWCIAB-AMMBCFRFSA-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 = 514 nM (pChEMBL 6.289999961853027)
Descriptors: MW 439.58, ALogP 3.26, HBA 3, HBD 2, PSA 61.44, QED 0.46
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)[C@@H]2C=C[C@H]1C21CC1.O=CO
InChIKey: IZAPXZBFBJSUPW-AMMBCFRFSA-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 = 1260 nM (pChEMBL 5.900000095367432)
Descriptors: MW 505.58, ALogP 4.02, HBA 4, HBD 2, PSA 70.67, QED 0.37
Compound (SMILES): CC(C)Oc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1.O=CO
InChIKey: UDUSCRZMZVWBAG-QJRGHEQESA-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 = 7220 nM (pChEMBL 5.139999866485596)
Descriptors: MW 479.67, ALogP 3.91, HBA 4, HBD 2, PSA 70.67, QED 0.37
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2nc(Br)cs2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HCGJMCYOQULBPA-WOUAJJJCSA-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 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 507.5, ALogP 3.34, HBA 5, HBD 2, PSA 74.33, QED 0.4
Compound (SMILES): CC(=O)c1nc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)co1
InChIKey: OSKBTEQVMQGPRG-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 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 454.57, ALogP 2.31, HBA 6, HBD 2, PSA 104.54, QED 0.32
Compound (SMILES): O=C(NCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: FYHFWEKXARECEC-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 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 486.45, ALogP 3.5, HBA 3, HBD 2, PSA 61.44, QED 0.44
Compound (SMILES): O=C(NCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: XYIFDGDKYUYLGB-YALNPMBYSA-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 = 305 nM (pChEMBL 6.519999980926514)
Descriptors: MW 479.44, ALogP 3.27, HBA 5, HBD 2, PSA 74.33, QED 0.47
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: WACPXBVVKVHYQT-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 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 495.49, ALogP 3.89, HBA 5, HBD 2, PSA 74.33, QED 0.54
Compound (SMILES): NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: LKXVHJSGUDHLOH-OTMMVIPVSA-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 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 441.35, ALogP 1.89, HBA 5, HBD 3, PSA 114.18, QED 0.63
Compound (SMILES): NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: BYBOGRTYVAVALV-OTMMVIPVSA-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 = 8.1 nM (pChEMBL 8.09000015258789)
Descriptors: MW 439.34, ALogP 1.66, HBA 5, HBD 3, PSA 114.18, QED 0.59
Compound (SMILES): NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: JEXOGAQYDLSQAE-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 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 446.35, ALogP 1.89, HBA 3, HBD 3, PSA 101.29, QED 0.56
Compound (SMILES): NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)nc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: AURVGAODLFSDJC-NOXHYTERSA-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 = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 433.31, ALogP 1.6, HBA 4, HBD 3, PSA 114.18, QED 0.47
Compound (SMILES): CC(=O)c1coc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)n1
InChIKey: OZOAEGUBCYXTSI-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 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 454.57, ALogP 2.31, HBA 6, HBD 2, PSA 104.54, QED 0.32
Compound (SMILES): CC(=O)c1coc(CNC(=O)[C@H]2[C@H](C(=O)NCC(C)C)[C@H]3C=C[C@@H]2C32CC2)n1
InChIKey: JPECDJOGSXCXAV-LTCOOKNTSA-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 = 369 nM (pChEMBL 6.429999828338623)
Descriptors: MW 385.46, ALogP 2.09, HBA 5, HBD 2, PSA 101.3, QED 0.55
Compound (SMILES): CC(C)CNC(=O)[C@H]1[C@H](C(=O)NCc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: HKCFPHVLUHPESG-NOXHYTERSA-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 = 3.9 nM (pChEMBL 8.40999984741211)
Descriptors: MW 438.39, ALogP 3.12, HBA 4, HBD 2, PSA 71.09, QED 0.67
Compound (SMILES): CC(C)CNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: IWSYAZKBTBMLRY-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 = 191 nM (pChEMBL 6.71999979019165)
Descriptors: MW 431.37, ALogP 3.67, HBA 2, HBD 2, PSA 58.2, QED 0.68
Compound (SMILES): CC(=O)c1csc(CNC(=O)[C@H]2[C@H](C(=O)NCCCc3nc4ccccc4[nH]3)[C@H]3C=C[C@@H]2C32CC2)n1
InChIKey: HZTJKVZCSQNDLY-UOIPHLHCSA-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 = 106 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.63, ALogP 3.42, HBA 6, HBD 3, PSA 116.84, QED 0.24
Compound (SMILES): O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: JDEITZSZOREJHC-RYMBOPBQSA-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 = 174 nM (pChEMBL 6.760000228881836)
Descriptors: MW 526.46, ALogP 4.3, HBA 5, HBD 3, PSA 99.77, QED 0.32
Compound (SMILES): O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: GEEAOTPVRFHUEJ-GCYXNMHMSA-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 = 216 nM (pChEMBL 6.670000076293945)
Descriptors: MW 533.47, ALogP 4.52, HBA 3, HBD 3, PSA 86.88, QED 0.29
Compound (SMILES): COc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cn1.Cl
InChIKey: XZEIGLSLNVSJQC-FKFVOXPGSA-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 = 673 nM (pChEMBL 6.170000076293945)
Descriptors: MW 438.57, ALogP 2.85, HBA 5, HBD 2, PSA 83.56, QED 0.46
Compound (SMILES): Cl.O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2cnc(Br)cn2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: NDSZMLNQDTYXEM-XDSOLZPBSA-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 = 7.9 nM (pChEMBL 8.100000381469727)
Descriptors: MW 488.43, ALogP 3, HBA 5, HBD 2, PSA 87.22, QED 0.43
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCCC5CCCN5)CC4)c23)cc1
InChIKey: ZGOVHIWCOPUGBF-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 421.61, ALogP 4.31, HBA 6, HBD 2, PSA 53.08, QED 0.56
Compound (SMILES): CN(CCC1CCCN1)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: AALWMQLVKJKLJH-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 435.64, ALogP 4.65, HBA 6, HBD 1, PSA 44.29, QED 0.59
Compound (SMILES): CCN1CCCC1CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: PKXYMQUVKOWCMM-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 463.7, ALogP 5.38, HBA 6, HBD 0, PSA 35.5, QED 0.45
Compound (SMILES): CC(C)N1CCCC1CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: GHFPIGVDOHESMS-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 477.72, ALogP 5.77, HBA 6, HBD 0, PSA 35.5, QED 0.41
Compound (SMILES): CC(=O)N1CCCC1CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: PDWSVCPRUVDQKL-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 477.68, ALogP 4.91, HBA 6, HBD 0, PSA 52.57, QED 0.48
Compound (SMILES): N[C@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: UPUBYODLRVJDSY-IBGZPJMESA-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 407.59, ALogP 4, HBA 6, HBD 1, PSA 58.28, QED 0.71
Compound (SMILES): CN1CC(N(C)C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1=O
InChIKey: WYKHMHCNCWFAJY-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 421.57, ALogP 3.49, HBA 6, HBD 0, PSA 52.57, QED 0.65
Compound (SMILES): F[C@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: XFTUUUBPSHXSLK-SFHVURJKSA-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 396.54, ALogP 4.62, HBA 5, HBD 0, PSA 32.26, QED 0.64
Compound (SMILES): CN(CC(=O)N1CCCC1)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: FCCVOMZNWXHDNC-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 449.62, ALogP 4.13, HBA 6, HBD 0, PSA 52.57, QED 0.57
Compound (SMILES): C=CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: GIORRLJTYCXCDP-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 364.52, ALogP 4.35, HBA 5, HBD 1, PSA 41.05, QED 0.52
Compound (SMILES): OCC1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: WUUBEMISODLBSH-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 408.57, ALogP 3.89, HBA 6, HBD 1, PSA 52.49, QED 0.69
Compound (SMILES): CC(NC1CC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: TWWNTTIVGVZCAU-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 378.55, ALogP 4.72, HBA 5, HBD 1, PSA 41.05, QED 0.7
Compound (SMILES): CN1CCC(NCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: NMMONRAUMFQYSQ-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 421.61, ALogP 4.26, HBA 6, HBD 1, PSA 44.29, QED 0.67
Compound (SMILES): CC1CCC(C)N1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: DXTJWAKKLIVOBV-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 406.6, ALogP 5.45, HBA 5, HBD 0, PSA 32.26, QED 0.58
Compound (SMILES): FC(F)(F)C1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: RWHMGLCHHLLGRA-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 460.57, ALogP 5.85, HBA 5, HBD 0, PSA 32.26, QED 0.49
Compound (SMILES): CN1CCC[C@H]1CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: WWIMWVVXMBIKLF-NRFANRHFSA-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 435.64, ALogP 4.65, HBA 6, HBD 1, PSA 44.29, QED 0.55
Compound (SMILES): CN(CCC1CCCN1C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: VTEDPXVKRQYAMO-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 449.67, ALogP 4.99, HBA 6, HBD 0, PSA 35.5, QED 0.51
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCCC5CCCO5)CC4)c23)cc1
InChIKey: BFKKPHMOJIVZIU-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 4.73, HBA 6, HBD 1, PSA 50.28, QED 0.56
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCCC5CC5)CC4)c23)cc1
InChIKey: OGPCNSREQLWKEK-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 392.57, ALogP 4.96, HBA 5, HBD 1, PSA 41.05, QED 0.58
Compound (SMILES): CN1CCC(CCNCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: WGOZJXKMNGPCLH-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 435.64, ALogP 4.51, HBA 6, HBD 1, PSA 44.29, QED 0.55
Compound (SMILES): CN(CC(=O)N1CCCC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: FTMADQXXZSNJRV-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 435.6, ALogP 3.88, HBA 6, HBD 0, PSA 52.57, QED 0.61
Compound (SMILES): NC(=O)[C@@H]1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: UNTVEFISGPAOOS-IBGZPJMESA-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 421.57, ALogP 3.52, HBA 6, HBD 1, PSA 75.35, QED 0.68
Compound (SMILES): CN1CCN(c2nc(N3CCC(CN(CCO)CCO)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: STQSUHYVMQLQAH-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 510.71, ALogP 2.61, HBA 9, HBD 2, PSA 79.2, QED 0.45
Compound (SMILES): CC(C)NCC1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: XLRVMLGOGYSMAL-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 478.71, ALogP 5.08, HBA 7, HBD 2, PSA 56.32, QED 0.45
Compound (SMILES): COCCNCC1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: CRLQEQYKIIIJSY-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 494.71, ALogP 4.32, HBA 8, HBD 2, PSA 65.55, QED 0.39
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(NCCN4CCCC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: RDACEUVICKCWOY-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 533.79, ALogP 4.72, HBA 8, HBD 1, PSA 50.77, QED 0.43
Compound (SMILES): CN1CCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: WGJRSLCQRLRDRN-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 519.76, ALogP 3.96, HBA 8, HBD 0, PSA 41.98, QED 0.49
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCNCC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: IVYWBZWLYNTDJK-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 505.74, ALogP 3.62, HBA 8, HBD 1, PSA 50.77, QED 0.55
Compound (SMILES): CN1CCN(c2nc(N3CCC(N(C)C4(CO)CCCC4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: OKMKJZRVNFMHGZ-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 520.75, ALogP 4.32, HBA 8, HBD 1, PSA 58.97, QED 0.52
Compound (SMILES): CN1CCN(c2nc(N3CCC(CNCCC4CCCN4C)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: AOUAPEKAUHZFGY-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 533.79, ALogP 4.4, HBA 8, HBD 1, PSA 50.77, QED 0.43
Compound (SMILES): CN1CCN(c2nc(N3CCC(CN4CCCC(N(C)C)C4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: NQCLNANRPRPADW-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 533.79, ALogP 4.35, HBA 8, HBD 0, PSA 41.98, QED 0.47
Compound (SMILES): CN1CCN(c2nc(N3CCC(CNC4CCC4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: XAAYFDPZDYVVPY-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 476.69, ALogP 4.47, HBA 7, HBD 1, PSA 47.53, QED 0.57
Compound (SMILES): CN(C)C1CCCN(CC2CCN(c3nc(NCCN4CCCC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: UULIHMCCZFOKID-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 547.82, ALogP 5.11, HBA 8, HBD 1, PSA 50.77, QED 0.4
Compound (SMILES): COCCNc1nc(N2CCC(CN(C)C3CCN(C)C3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: JSHOFIHAJOXVRN-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 494.71, ALogP 4.27, HBA 8, HBD 1, PSA 56.76, QED 0.45
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(NCC4CC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: VJIQWNGJIMPFBC-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 490.72, ALogP 5.03, HBA 7, HBD 1, PSA 47.53, QED 0.48
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: UJYWAKUSEQRDHA-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 533.75, ALogP 3.52, HBA 8, HBD 1, PSA 81.83, QED 0.5
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N(C)CC(N)=O)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: DNCYBALWUCZKJU-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 507.71, ALogP 3.13, HBA 8, HBD 1, PSA 81.83, QED 0.5
Compound (SMILES): COCCN1CCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: OLPNESUVOGBIBW-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 563.82, ALogP 3.98, HBA 9, HBD 0, PSA 51.21, QED 0.39
Compound (SMILES): CN(C)C1CCCN(CC2CCN(c3nc(N4CCC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: STZBIAMKHPNIHH-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 547.77, ALogP 3.91, HBA 8, HBD 1, PSA 81.83, QED 0.48
Compound (SMILES): COCCNc1nc(N2CCC(CN3CCCC(N(C)C)C3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: KIOYNDUTAGTFJI-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 508.74, ALogP 4.66, HBA 8, HBD 1, PSA 56.76, QED 0.42
Compound (SMILES): O=C1CN(c2nc(N3CCC(CNC4CCC4)CC3)c3c(-c4ccccc4)csc3n2)CCN1
InChIKey: BNQFCXWMONEHPT-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 476.65, ALogP 3.65, HBA 7, HBD 2, PSA 73.39, QED 0.57
Compound (SMILES): COCCNc1nc(N2CCC(CNC3CCC3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: XQSAGKOJBJDHQR-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 451.64, ALogP 4.78, HBA 7, HBD 2, PSA 62.31, QED 0.46