lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1cccc(C(O)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)CCC(=O)N2CCCC(C(=O)O)C2)c1OC
InChIKey: CZHJOZMJUZDQIB-UHFFFAOYSA-N
Target: Squalene synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P37268
Assay: Inhibition of squalene synthase
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 575.1, ALogP 4.92, HBA 6, HBD 2, PSA 116.61, QED 0.41
Compound (SMILES): CC(C)(C)CN(C(=O)CCC(=O)N1CCCC(C(=O)O)C1)c1ccc(Cl)cc1C(O)c1cccc2c1OCCO2
InChIKey: CHJHDBWXLSSCOU-UHFFFAOYSA-N
Target: Squalene synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P37268
Assay: Inhibition of squalene synthase
Measurement: IC50 = 6.8 nM (pChEMBL 8.170000076293945)
Descriptors: MW 573.09, ALogP 4.68, HBA 6, HBD 2, PSA 116.61, QED 0.47
Compound (SMILES): CCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
InChIKey: UPRXAKRITNJEII-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: SPR Competitive Binding Assay: SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biacore) as described in Mol Cancer Ther 7:2621 (2008). For the competitive binding assays and the Ki determination, PtdIns(3,4,5)phosphate-biotin labeled liposomes (Echelon Biosciences) and SA chips were used with increasing concentrations of the compound tested.
Measurement: Kd = 6030 nM (pChEMBL 5.21999979019165)
Descriptors: MW 326.4, ALogP 1.86, HBA 6, HBD 2, PSA 101.05, QED 0.87
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIKey: YBXVFQLCJDOUAC-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 424.59, ALogP 4.73, HBA 6, HBD 2, PSA 101.05, QED 0.48
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIKey: ILZODEOZEIRDNY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 8000 nM (pChEMBL 5.099999904632568)
Descriptors: MW 438.62, ALogP 4.98, HBA 6, HBD 2, PSA 101.05, QED 0.43
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIKey: UTDKUUJAGJRRIW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 466.67, ALogP 5.72, HBA 6, HBD 2, PSA 101.05, QED 0.39
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(=O)O)s2)cc1
InChIKey: IKGHJZKUAKRSFH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 468.6, ALogP 4.05, HBA 7, HBD 3, PSA 138.35, QED 0.36
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(=O)OCC)s2)cc1
InChIKey: ZJILTSCBRSQXNQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 496.66, ALogP 4.52, HBA 8, HBD 2, PSA 127.35, QED 0.27
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(=O)OCC)s2)cc1
InChIKey: DQRJFBUXNGDEFT-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 482.63, ALogP 4.59, HBA 8, HBD 2, PSA 127.35, QED 0.3
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CO)s2)cc1
InChIKey: ZYXCDTSHWOVFEL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 440.59, ALogP 3.91, HBA 7, HBD 3, PSA 121.28, QED 0.41
Compound (SMILES): CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIKey: PZTCZBHOVIEFIE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 489.65, ALogP 3.07, HBA 8, HBD 3, PSA 161.21, QED 0.36
Compound (SMILES): CCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIKey: OTPUUDOLWVWUGE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 297.4, ALogP 2.68, HBA 5, HBD 1, PSA 71.95, QED 0.89
Compound (SMILES): CCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIKey: UDKVFORBGGGOMV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 325.46, ALogP 3.46, HBA 5, HBD 1, PSA 71.95, QED 0.75
Compound (SMILES): CCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIKey: ZISGLPZPXXKGCW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 353.51, ALogP 4.24, HBA 5, HBD 1, PSA 71.95, QED 0.65
Compound (SMILES): CCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIKey: YBCPOZWSAZPCTA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 5600 nM (pChEMBL 5.25)
Descriptors: MW 437.68, ALogP 6.58, HBA 5, HBD 1, PSA 71.95, QED 0.3
Compound (SMILES): CCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIKey: MNVDAFJFJFZUBV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 7600 nM (pChEMBL 5.119999885559082)
Descriptors: MW 465.73, ALogP 7.36, HBA 5, HBD 1, PSA 71.95, QED 0.23
Compound (SMILES): CCCCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIKey: TXDRYRHMHZAZRM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 493.78, ALogP 8.14, HBA 5, HBD 1, PSA 71.95, QED 0.19
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIKey: ZOTPGNNXVONELT-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 423.65, ALogP 6.11, HBA 5, HBD 1, PSA 71.95, QED 0.37
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIKey: NQJAMQWCJPPKIO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 7000 nM (pChEMBL 5.159999847412109)
Descriptors: MW 437.68, ALogP 6.36, HBA 5, HBD 1, PSA 71.95, QED 0.33
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIKey: URMLPGTYFKOPTD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 465.73, ALogP 7.1, HBA 5, HBD 1, PSA 71.95, QED 0.3
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC(=O)O)s2)cc1
InChIKey: SUNRTAGYXNHFIQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 467.66, ALogP 5.43, HBA 6, HBD 2, PSA 109.25, QED 0.32
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC(=O)OCC)s2)cc1
InChIKey: AXOLRCIOEXAHNJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Binding affinity to AKT1 (unknown origin) by surface plasmon resonance assay
Measurement: Ki = 4300 nM (pChEMBL 5.369999885559082)
Descriptors: MW 495.71, ALogP 5.91, HBA 7, HBD 1, PSA 98.25, QED 0.22
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(C(=O)OCC)s2)cc1
InChIKey: XQAPZSCMYFOATG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 19000 nM (pChEMBL 4.71999979019165)
Descriptors: MW 481.68, ALogP 5.98, HBA 7, HBD 1, PSA 98.25, QED 0.23
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CO)s2)cc1
InChIKey: YIICEUXQMJCYGK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 7500 nM (pChEMBL 5.119999885559082)
Descriptors: MW 439.65, ALogP 5.29, HBA 6, HBD 2, PSA 92.18, QED 0.37
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIKey: FLHFDHASGBHRBU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 488.7, ALogP 4.45, HBA 7, HBD 2, PSA 132.11, QED 0.36
Compound (SMILES): O=S(=O)(Nc1nncs1)c1ccc(-c2ccccc2)cc1
InChIKey: XZNYWZJAIRKFDM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 19000 nM (pChEMBL 4.71999979019165)
Descriptors: MW 317.4, ALogP 3.01, HBA 5, HBD 1, PSA 71.95, QED 0.8
Compound (SMILES): CCc1nnc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)s1
InChIKey: HSBQOVOWBGDBOY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 17000 nM (pChEMBL 4.769999980926514)
Descriptors: MW 345.45, ALogP 3.57, HBA 5, HBD 1, PSA 71.95, QED 0.77
Compound (SMILES): O=S(=O)(Nc1nnc(CO)s1)c1ccc(-c2ccccc2)cc1
InChIKey: QDHJOKPUXZVKLP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 40000 nM (pChEMBL 4.400000095367432)
Descriptors: MW 347.42, ALogP 2.5, HBA 6, HBD 2, PSA 92.18, QED 0.74
Compound (SMILES): CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIKey: KPBXRVWXUQQTBC-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 401.62, ALogP 6.95, HBA 2, HBD 1, PSA 46.17, QED 0.35
Compound (SMILES): CCCCCCCCCCCCc1ccccc1S(=O)(=O)Nc1nncs1
InChIKey: HTPZUHITNABZOX-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 18000 nM (pChEMBL 4.75)
Descriptors: MW 409.62, ALogP 5.8, HBA 5, HBD 1, PSA 71.95, QED 0.4
Compound (SMILES): CCCCCCCCCCCCc1cccc(S(=O)(=O)Nc2nncs2)c1
InChIKey: GYVFEDUVBKRIIL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 8000 nM (pChEMBL 5.099999904632568)
Descriptors: MW 409.62, ALogP 5.8, HBA 5, HBD 1, PSA 71.95, QED 0.4
Compound (SMILES): CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIKey: ZSZXYWFCIKKZBT-IVYVYLGESA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 1050.98
Compound (SMILES): CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)C[C@H]1O)OC
InChIKey: GJZGRYXGQBWBEB-AVMFAVRISA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Mus musculus
UniProt: P31750
Assay: Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
Measurement: Ki = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 584.73, ALogP 4.63, HBA 9, HBD 5, PSA 155.14, QED 0.08
Compound (SMILES): COc1cc2c(c(O)c1C)C(=O)CC(c1ccccc1)O2
InChIKey: MJPLGHSVCRZIQU-UHFFFAOYSA-N
Target: Broad substrate specificity ATP-binding cassette transporter ABCG2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ0
Assay: Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
Measurement: IC50 = 4900 nM (pChEMBL 5.309999942779541)
Descriptors: MW 284.31, ALogP 3.42, HBA 4, HBD 1, PSA 55.76, QED 0.92
Compound (SMILES): COc1cc(OC)c2c(c1C)OC(c1ccccc1)CC2=O
InChIKey: RIEGMKITKZWJHR-UHFFFAOYSA-N
Target: Broad substrate specificity ATP-binding cassette transporter ABCG2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ0
Assay: Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
Measurement: IC50 = 9300 nM (pChEMBL 5.03000020980835)
Descriptors: MW 298.34, ALogP 3.72, HBA 4, HBD 0, PSA 44.76, QED 0.87
Compound (SMILES): COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1C
InChIKey: LDGCKWYSZUGWHS-UHFFFAOYSA-N
Target: Broad substrate specificity ATP-binding cassette transporter ABCG2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ0
Assay: Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
Measurement: IC50 = 5900 nM (pChEMBL 5.230000019073486)
Descriptors: MW 296.32, ALogP 3.79, HBA 4, HBD 0, PSA 48.67, QED 0.74
Compound (SMILES): COC1=C(OC)[C@]2(OC)c3c(OC)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](O)C[C@H](c1ccccc1)O4
InChIKey: CAPJLGPKGOVWIU-YIYLECCTSA-N
Target: Broad substrate specificity ATP-binding cassette transporter ABCG2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ0
Assay: Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 614.65, ALogP 5.37, HBA 10, HBD 1, PSA 111.14, QED 0.37
Compound (SMILES): COC1=C(OC)[C@]2(OC)c3c(OC)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](OC)C[C@H](c1ccccc1)O4
InChIKey: AOIFTQSYQCTSIR-ZWXIBEELSA-N
Target: Broad substrate specificity ATP-binding cassette transporter ABCG2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ0
Assay: Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
Measurement: IC50 = 16000 nM (pChEMBL 4.800000190734863)
Descriptors: MW 628.67, ALogP 6.02, HBA 10, HBD 0, PSA 100.14, QED 0.29
Compound (SMILES): COc1c2c(c3c(c1OC)[C@@]1(OC)C4=C(C(=O)[C@H](OC)[C@@]1(OC)O3)[C@H](OC)C[C@@H](c1ccccc1)O4)[C@H](O)C[C@@H](c1ccccc1)O2
InChIKey: XIIREHQYOZVJHT-BYJBFDSNSA-N
Target: Broad substrate specificity ATP-binding cassette transporter ABCG2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ0
Assay: Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
Measurement: IC50 = 29000 nM (pChEMBL 4.539999961853027)
Descriptors: MW 646.69, ALogP 4.87, HBA 11, HBD 1, PSA 120.37, QED 0.36
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccccc2)c1O
InChIKey: LNMLSTKZEMYYHR-VOTSOKGWSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 347.16, ALogP 3.75, HBA 3, HBD 2, PSA 74.6, QED 0.65
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1O
InChIKey: YMNXSYYXRNDTQM-AATRIKPKSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 14125.38 nM (pChEMBL 4.849999904632568)
Descriptors: MW 381.61, ALogP 4.4, HBA 3, HBD 2, PSA 74.6, QED 0.61
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccccc2F)c1O
InChIKey: FDWILVGSVZPDAZ-AATRIKPKSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 32359.37 nM (pChEMBL 4.489999771118164)
Descriptors: MW 365.15, ALogP 3.89, HBA 3, HBD 2, PSA 74.6, QED 0.64
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2)c1O
InChIKey: HVTFWVLLKOKUPD-SNAWJCMRSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 9120.11 nM (pChEMBL 5.039999961853027)
Descriptors: MW 381.61, ALogP 4.4, HBA 3, HBD 2, PSA 74.6, QED 0.61
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2)c1O
InChIKey: IJHQQPXOILOVAP-ZZXKWVIFSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 12022.64 nM (pChEMBL 4.920000076293945)
Descriptors: MW 381.61, ALogP 4.4, HBA 3, HBD 2, PSA 74.6, QED 0.61
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccc(Br)cc2)c1O
InChIKey: NLSDWOOWOBCRKL-ZZXKWVIFSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 426.06, ALogP 4.51, HBA 3, HBD 2, PSA 74.6, QED 0.56
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccc(I)cc2)c1O
InChIKey: XBBGUPFPQVKWMP-ZZXKWVIFSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 69000 nM (pChEMBL 4.159999847412109)
Descriptors: MW 473.06, ALogP 4.35, HBA 3, HBD 2, PSA 74.6, QED 0.39
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1O
InChIKey: RUVUCLFDCSPDPZ-DUXPYHPUSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 7079.46 nM (pChEMBL 5.150000095367432)
Descriptors: MW 416.05, ALogP 5.06, HBA 3, HBD 2, PSA 74.6, QED 0.54
Compound (SMILES): O=C(O)c1cc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1O
InChIKey: CFYFEWJALFHPBL-SNAWJCMRSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 19054.61 nM (pChEMBL 4.71999979019165)
Descriptors: MW 416.05, ALogP 5.06, HBA 3, HBD 2, PSA 74.6, QED 0.54
Compound (SMILES): COc1cccc(/C=C/C(=O)c2cc(Br)cc(C(=O)O)c2O)c1OC
InChIKey: JOIPWDYKSYMZGM-VOTSOKGWSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
Measurement: IC50 = 34673.69 nM (pChEMBL 4.460000038146973)
Descriptors: MW 407.22, ALogP 3.77, HBA 5, HBD 2, PSA 93.06, QED 0.56
Compound (SMILES): O=C(Nc1nnc(-c2ccoc2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIKey: ULAQNZQYGJRIBT-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 72000 nM (pChEMBL 4.139999866485596)
Descriptors: MW 382.38, ALogP 4.8, HBA 6, HBD 1, PSA 94.05, QED 0.48
Compound (SMILES): O=C(Nc1nnc(Cc2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIKey: AIGSXPWRDDHJTH-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 75000 nM (pChEMBL 4.119999885559082)
Descriptors: MW 406.45, ALogP 5.13, HBA 5, HBD 1, PSA 80.91, QED 0.44
Compound (SMILES): O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIKey: FXNWVEHTGKRASK-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 61000 nM (pChEMBL 4.210000038146973)
Descriptors: MW 426.86, ALogP 5.86, HBA 5, HBD 1, PSA 80.91, QED 0.39
Compound (SMILES): O=C(Nc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIKey: BZWDMXAKEQBZBF-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 66000 nM (pChEMBL 4.179999828338623)
Descriptors: MW 392.42, ALogP 5.2, HBA 5, HBD 1, PSA 80.91, QED 0.45
Compound (SMILES): O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccs2)nc2ccccc12
InChIKey: IOAQXGPRIIINNI-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 63000 nM (pChEMBL 4.199999809265137)
Descriptors: MW 388.41, ALogP 4.86, HBA 7, HBD 1, PSA 94.05, QED 0.47
Compound (SMILES): O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccco2)nc2ccccc12
InChIKey: DDJUZGVFWXNTJC-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 66000 nM (pChEMBL 4.179999828338623)
Descriptors: MW 372.34, ALogP 4.39, HBA 7, HBD 1, PSA 107.19, QED 0.5
Compound (SMILES): O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIKey: WJWGIMDGOPMMMM-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 55000 nM (pChEMBL 4.260000228881836)
Descriptors: MW 432.44, ALogP 5.95, HBA 6, HBD 1, PSA 94.05, QED 0.37
Compound (SMILES): O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIKey: MNPXTRXFUMGQLK-UHFFFAOYSA-N
Target: Signal transducer and activator of transcription 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40763
Assay: Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
Measurement: IC50 = 74000 nM (pChEMBL 4.130000114440918)
Descriptors: MW 382.38, ALogP 4.8, HBA 6, HBD 1, PSA 94.05, QED 0.48
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1cccc(F)c1
InChIKey: AFJKHMXICXLERW-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 434.56, ALogP 5.76, HBA 4, HBD 2, PSA 58.95, QED 0.52
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1ccccc1F
InChIKey: ILUFJJNLTHNZPD-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 434.56, ALogP 5.76, HBA 4, HBD 2, PSA 58.95, QED 0.52
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1ccc(C)cc1
InChIKey: HUZMHENQDRSAGB-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 430.6, ALogP 5.93, HBA 4, HBD 2, PSA 58.95, QED 0.51
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1ccc(OC)cc1
InChIKey: LCKSNKOBGHCPJH-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 6.6 nM (pChEMBL 8.180000305175781)
Descriptors: MW 446.6, ALogP 5.63, HBA 5, HBD 2, PSA 68.18, QED 0.49
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1ccc(OCc2ccccc2)cc1
InChIKey: YLUJEDKNULOGKW-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 522.69, ALogP 7.2, HBA 5, HBD 2, PSA 68.18, QED 0.24
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1ccc(COC(C)=O)cc1
InChIKey: VWWPCIMVRXMNJC-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 488.63, ALogP 5.68, HBA 6, HBD 2, PSA 85.25, QED 0.4
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1ccc(OC(C)=O)cc1
InChIKey: PAVHLCULMYJFGO-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 474.61, ALogP 5.55, HBA 6, HBD 2, PSA 85.25, QED 0.35
Compound (SMILES): CCC(=O)Oc1ccc(C(CC)(CC)NC(=O)c2cnn3c2NC(c2ccccc2)CC3(C)C)cc1
InChIKey: ZMCRAUNGYPVCPJ-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 488.63, ALogP 5.94, HBA 6, HBD 2, PSA 85.25, QED 0.3
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)c1ccc(C)cc1.Cl
InChIKey: KHNKQCIZNKHPCV-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 430.6, ALogP 5.93, HBA 4, HBD 2, PSA 58.95, QED 0.51
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C)cc1.Cl
InChIKey: KHNKQCIZNKHPCV-GNAFDRTKSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 430.6, ALogP 5.93, HBA 4, HBD 2, PSA 58.95, QED 0.51
Compound (SMILES): CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(C)cc1.Cl
InChIKey: KHNKQCIZNKHPCV-BQAIUKQQSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 430.6, ALogP 5.93, HBA 4, HBD 2, PSA 58.95, QED 0.51
Compound (SMILES): O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F
InChIKey: SMDFTUTXLCAQBO-ZWKOTPCHSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 468.4, ALogP 5.49, HBA 4, HBD 2, PSA 58.95, QED 0.5
Compound (SMILES): O=C(NC(c1ccccc1)c1ccccc1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F
InChIKey: DSZIJTUXGRIYIN-XZOQPEGZSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 476.5, ALogP 6.06, HBA 4, HBD 2, PSA 58.95, QED 0.37
Compound (SMILES): CCOC(=O)c1ccc(C(CC)(CC)NC(=O)c2cnn3c2NC(c2ccccc2)CC3(C)C)cc1
InChIKey: VQIGPFNUMZQPMO-UHFFFAOYSA-N
Target: Extracellular calcium-sensing receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41180
Assay: Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 488.63, ALogP 5.8, HBA 6, HBD 2, PSA 85.25, QED 0.39
Compound (SMILES): C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey: LJABAIOSDNQOHO-FBOVWTABSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 1635.93
Compound (SMILES): C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey: LJABAIOSDNQOHO-AGOVHYEISA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 1180 nM (pChEMBL 5.929999828338623)
Descriptors: MW 1635.93
Compound (SMILES): C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey: LDYAQMAQKPCOKX-JRSPOBCWSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 1635.93
Compound (SMILES): C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey: VEIBXMZRLHAMLO-LANMVBEMSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 0.35 nM (pChEMBL 9.460000038146973)
Descriptors: MW 1506.74
Compound (SMILES): CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@H](CCCNC(=N)N)NC1=O
InChIKey: DPRUDGOHUWTPRM-KELWCDABSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 164 nM (pChEMBL 6.789999961853027)
Descriptors: MW 814.97, ALogP -0.43, HBA 9, HBD 10, PSA 286.17, QED 0.04
Compound (SMILES): C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey: LDYAQMAQKPCOKX-KAILQHMVSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 1635.93
Compound (SMILES): C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey: SAUMKWJPJZDAEN-CNEXOMJLSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 1635.93
Compound (SMILES): C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey: SAUMKWJPJZDAEN-FHILOCCJSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Mus musculus
UniProt: Q01727
Assay: Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
Measurement: EC50 = 495 nM (pChEMBL 6.300000190734863)
Descriptors: MW 1635.93
Compound (SMILES): CCCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1
InChIKey: MIDWSIDODUTCGG-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 69000 nM (pChEMBL 4.159999847412109)
Descriptors: MW 301.77, ALogP 3.4, HBA 2, HBD 1, PSA 40.54, QED 0.94
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccccc1
InChIKey: IVVYITXRAYWUAQ-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 74000 nM (pChEMBL 4.130000114440918)
Descriptors: MW 349.82, ALogP 4.19, HBA 2, HBD 1, PSA 40.54, QED 0.77
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1
InChIKey: BMDQHMWITGBSNM-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 367.81, ALogP 4.33, HBA 2, HBD 1, PSA 40.54, QED 0.75
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1
InChIKey: DGWNHIXOANURKW-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 384.26, ALogP 4.84, HBA 2, HBD 1, PSA 40.54, QED 0.7
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(Br)cc1
InChIKey: QAMBGJZBFAREOH-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 4500 nM (pChEMBL 5.349999904632568)
Descriptors: MW 428.71, ALogP 4.95, HBA 2, HBD 1, PSA 40.54, QED 0.64
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(I)cc1
InChIKey: UDZDEVMPNJUMBO-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 475.71, ALogP 4.79, HBA 2, HBD 1, PSA 40.54, QED 0.55
Compound (SMILES): Cc1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: SBGUDSXIHMTBNZ-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 15000 nM (pChEMBL 4.820000171661377)
Descriptors: MW 363.84, ALogP 4.5, HBA 2, HBD 1, PSA 40.54, QED 0.74
Compound (SMILES): N#Cc1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: QIIYXYNIDJTHQG-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 374.83, ALogP 4.06, HBA 3, HBD 1, PSA 64.33, QED 0.75
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccccc2)N1Cc1ccc([N+](=O)[O-])cc1
InChIKey: JHLRZXRFMVWOLS-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 87000 nM (pChEMBL 4.059999942779541)
Descriptors: MW 360.37, ALogP 3.44, HBA 4, HBD 1, PSA 83.68, QED 0.57
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(F)cc2)N1Cc1ccc([N+](=O)[O-])cc1
InChIKey: JDQPEVSGVBTFKP-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 9500 nM (pChEMBL 5.019999980926514)
Descriptors: MW 378.36, ALogP 3.58, HBA 4, HBD 1, PSA 83.68, QED 0.56
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1
InChIKey: LCURVIQHVBRAPQ-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 394.81, ALogP 4.1, HBA 4, HBD 1, PSA 83.68, QED 0.53
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Br)cc2)N1Cc1ccc([N+](=O)[O-])cc1
InChIKey: WRDIZCBMKTVCSR-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 439.27, ALogP 4.21, HBA 4, HBD 1, PSA 83.68, QED 0.49
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1cccc([N+](=O)[O-])c1
InChIKey: AYKZZHMSHRUOTP-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 54000 nM (pChEMBL 4.269999980926514)
Descriptors: MW 394.81, ALogP 4.1, HBA 4, HBD 1, PSA 83.68, QED 0.53
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1CCc1ccccc1
InChIKey: QHCMEGFPUGYGGL-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 7200 nM (pChEMBL 5.139999866485596)
Descriptors: MW 363.84, ALogP 4.23, HBA 2, HBD 1, PSA 40.54, QED 0.75
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1CCc1ccc([N+](=O)[O-])cc1
InChIKey: JMMHDLXGGQORPD-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 6200 nM (pChEMBL 5.210000038146973)
Descriptors: MW 408.84, ALogP 4.14, HBA 4, HBD 1, PSA 83.68, QED 0.51
Compound (SMILES): Nc1ccc(CCN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: TXYQCSRWSKEAES-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 6200 nM (pChEMBL 5.210000038146973)
Descriptors: MW 378.86, ALogP 3.81, HBA 3, HBD 2, PSA 66.56, QED 0.68
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1cccc2ccccc12
InChIKey: CKAWKYGABRWDPY-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 47000 nM (pChEMBL 4.329999923706055)
Descriptors: MW 399.88, ALogP 5.34, HBA 2, HBD 1, PSA 40.54, QED 0.5
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1cccc(Br)c1
InChIKey: XXDWIKWXHIEZMQ-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 428.71, ALogP 4.95, HBA 2, HBD 1, PSA 40.54, QED 0.64
Compound (SMILES): CSc1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: WGSKGBMJRSMLNM-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 395.91, ALogP 4.91, HBA 3, HBD 1, PSA 40.54, QED 0.64
Compound (SMILES): C[S+]([O-])c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: NQXKIOZJPCCROR-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 411.91, ALogP 3.93, HBA 3, HBD 1, PSA 63.6, QED 0.66
Compound (SMILES): CS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: QAJWJDHDAREANU-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 427.91, ALogP 3.59, HBA 4, HBD 1, PSA 74.68, QED 0.69
Compound (SMILES): NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: WFQKXJXPGWNYAI-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 428.9, ALogP 2.84, HBA 4, HBD 2, PSA 100.7, QED 0.67
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(C(F)(F)F)cc1
InChIKey: RVBHFDCVFGBLNI-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 417.81, ALogP 5.21, HBA 2, HBD 1, PSA 40.54, QED 0.64
Compound (SMILES): COC(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: YQGYZGTXNKOHHM-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 407.85, ALogP 3.98, HBA 4, HBD 1, PSA 66.84, QED 0.66
Compound (SMILES): O=C(O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: ZPVWVZMIDHYDQP-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 393.83, ALogP 3.89, HBA 3, HBD 2, PSA 77.84, QED 0.7
Compound (SMILES): CC(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: WPVMCSFCDNXBJK-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 = 88000 nM (pChEMBL 4.059999942779541)
Descriptors: MW 391.85, ALogP 4.39, HBA 3, HBD 1, PSA 57.61, QED 0.67
Compound (SMILES): O=C(c1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIKey: JJKSCBVLEJVGJG-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: Inhibition of Mdm2 -p53 protein interaction by ELISA
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 453.93, ALogP 5.42, HBA 3, HBD 1, PSA 57.61, QED 0.41