lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCN(CC)C(=O)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(C#N)cnn23)c1
InChIKey: SMQHLZPDQJHUAF-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P68400
Assay: Inhibition of human CK2 alpha
Measurement: Ki = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 483.54, ALogP 3.92, HBA 9, HBD 3, PSA 140.34, QED 0.34
Compound (SMILES): CCOc1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(C#N)cnn23)c1
InChIKey: ZDSIIYNOURJMOC-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P68400
Assay: Inhibition of human CK2 alpha
Measurement: Ki = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 428.46, ALogP 3.84, HBA 9, HBD 3, PSA 129.26, QED 0.4
Compound (SMILES): CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC(F)F)c3)n3ncc(C#N)c3n2)c1
InChIKey: OQDKLLVQEZZFAL-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P68400
Assay: Inhibition of human CK2 alpha
Measurement: Ki = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 450.41, ALogP 4.04, HBA 9, HBD 3, PSA 129.26, QED 0.38
Compound (SMILES): Cn1c(=O)[nH]c(N2CCC(C(=O)c3ccccc3)CC2)c(Cc2ccccc2)c1=O
InChIKey: HWBKVSJEPQPOTJ-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 227 nM (pChEMBL 6.639999866485596)
Descriptors: MW 403.48, ALogP 2.76, HBA 5, HBD 1, PSA 75.17, QED 0.66
Compound (SMILES): O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2ccccc2Cl)c(=O)[nH]1
InChIKey: ZBJXBIMZENDRKV-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 8.7 nM (pChEMBL 8.0600004196167)
Descriptors: MW 395.89, ALogP 3.69, HBA 3, HBD 2, PSA 68.96, QED 0.71
Compound (SMILES): O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2cccc(Cl)c2)c(=O)[nH]1
InChIKey: IRZVQRHERMOSEM-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 9.1 nM (pChEMBL 8.039999961853027)
Descriptors: MW 395.89, ALogP 3.69, HBA 3, HBD 2, PSA 68.96, QED 0.71
Compound (SMILES): O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2ccc(Cl)cc2)c(=O)[nH]1
InChIKey: AABLNHSZFIPOBJ-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 395.89, ALogP 3.69, HBA 3, HBD 2, PSA 68.96, QED 0.71
Compound (SMILES): O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2cccc(Br)c2)c(=O)[nH]1
InChIKey: XLBPJJJZFHUGNP-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 440.34, ALogP 3.8, HBA 3, HBD 2, PSA 68.96, QED 0.65
Compound (SMILES): c1ccc(Nc2nc(Nc3ccccc3)n3nccc3n2)cc1
InChIKey: LLYYAUZAGCZEKV-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Zea mays
UniProt: P28523
Assay: Inhibition of corn CK2 alpha
Measurement: Ki = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 302.34, ALogP 3.61, HBA 6, HBD 2, PSA 67.14, QED 0.6
Compound (SMILES): N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ccccc3)nc12
InChIKey: VBWUXPYLIFKDMU-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Zea mays
UniProt: P28523
Assay: Inhibition of corn CK2 alpha
Measurement: Ki = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 327.35, ALogP 3.48, HBA 7, HBD 2, PSA 90.93, QED 0.6
Compound (SMILES): N#Cc1cccc(Cc2c(N3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1
InChIKey: FDNBJVSWLSNEDU-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 386.46, ALogP 2.91, HBA 4, HBD 2, PSA 92.75, QED 0.72
Compound (SMILES): COc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)cc1
InChIKey: FGOHZTAIGPRGFU-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 391.47, ALogP 3.05, HBA 4, HBD 2, PSA 78.19, QED 0.7
Compound (SMILES): COc1ccccc1C1CCN(c2[nH]c(=O)[nH]c(=O)c2Cc2ccccc2)CC1
InChIKey: OTNBHAGJVFDFBS-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 391.47, ALogP 3.05, HBA 4, HBD 2, PSA 78.19, QED 0.7
Compound (SMILES): O=c1[nH]c(N2CCC(c3ccc(Cl)cc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
InChIKey: CZTDGYVGXUNCAQ-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 395.89, ALogP 3.69, HBA 3, HBD 2, PSA 68.96, QED 0.71
Compound (SMILES): O=c1[nH]c(N2CCC(c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(=O)[nH]1
InChIKey: IYIBSFQMWALFFX-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 395.89, ALogP 3.69, HBA 3, HBD 2, PSA 68.96, QED 0.71
Compound (SMILES): CC(=O)Nc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)cc1
InChIKey: DJGWTADMQRGIOY-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 418.5, ALogP 3, HBA 4, HBD 3, PSA 98.06, QED 0.59
Compound (SMILES): COc1cccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)c1
InChIKey: NUWSZYDKNVZTCJ-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 9.2 nM (pChEMBL 8.039999961853027)
Descriptors: MW 391.47, ALogP 3.05, HBA 4, HBD 2, PSA 78.19, QED 0.7
Compound (SMILES): O=c1[nH]c(N2CCCC(c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1
InChIKey: QJAPWUPTHIMARS-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 6.5 nM (pChEMBL 8.1899995803833)
Descriptors: MW 361.45, ALogP 3.04, HBA 3, HBD 2, PSA 68.96, QED 0.75
Compound (SMILES): O=c1[nH]c(N2CCC(c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1
InChIKey: RSMKCHSNNSSKAX-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of [3H]dexamethasone from human recombinant GR
Measurement: Ki = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 347.42, ALogP 2.65, HBA 3, HBD 2, PSA 68.96, QED 0.76
Compound (SMILES): N=C(N)c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)c(Cl)nc(NC3CCC3)c2=O)cc1O
InChIKey: UZLBISOFSAIAQU-UHFFFAOYSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of factor 10a
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 495.97, ALogP 2.42, HBA 8, HBD 6, PSA 172.14, QED 0.16
Compound (SMILES): N=C(N)c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)c(Cl)nc(NC3CCC3)c2=O)c(C(F)(F)F)c1
InChIKey: RXJICFAZSFAWGS-UHFFFAOYSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of factor 10a
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 547.97, ALogP 3.73, HBA 7, HBD 5, PSA 151.91, QED 0.16
Compound (SMILES): OC1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIKey: VJCUYHKRHUNZBN-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 613 nM (pChEMBL 6.210000038146973)
Descriptors: MW 371.52, ALogP 5.19, HBA 2, HBD 1, PSA 23.47, QED 0.64
Compound (SMILES): OC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIKey: FCLMXEAPEVBCKQ-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 1983 nM (pChEMBL 5.699999809265137)
Descriptors: MW 267.37, ALogP 3.17, HBA 2, HBD 1, PSA 23.47, QED 0.92
Compound (SMILES): CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: PKTJCXJTMHJHNK-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 323 nM (pChEMBL 6.489999771118164)
Descriptors: MW 281.4, ALogP 3.73, HBA 2, HBD 1, PSA 23.47, QED 0.93
Compound (SMILES): CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: YUOJNJIUXXIUHY-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 135 nM (pChEMBL 6.869999885559082)
Descriptors: MW 295.43, ALogP 4.12, HBA 2, HBD 1, PSA 23.47, QED 0.92
Compound (SMILES): CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: HVKSQGJIDXVAKX-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 309.45, ALogP 4.51, HBA 2, HBD 1, PSA 23.47, QED 0.88
Compound (SMILES): CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: WQECIXIOLXNRTH-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 323.48, ALogP 4.9, HBA 2, HBD 1, PSA 23.47, QED 0.82
Compound (SMILES): CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: AHZUGQDNSYDLNN-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 337.51, ALogP 5.29, HBA 2, HBD 1, PSA 23.47, QED 0.69
Compound (SMILES): CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: KNZCONNAMIYGMW-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 337.51, ALogP 5.15, HBA 2, HBD 1, PSA 23.47, QED 0.79
Compound (SMILES): CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: VSTFKYJXYVRGDG-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 18 nM (pChEMBL 7.75)
Descriptors: MW 351.53, ALogP 5.68, HBA 2, HBD 1, PSA 23.47, QED 0.62
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1
InChIKey: FGNMLUGWZPUAMP-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 335.49, ALogP 4.9, HBA 2, HBD 1, PSA 23.47, QED 0.86
Compound (SMILES): OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1
InChIKey: FEOIETAFCTYQIE-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 357.5, ALogP 4.95, HBA 2, HBD 1, PSA 23.47, QED 0.7
Compound (SMILES): OCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: WYCQQHODYWNXIA-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 4035 nM (pChEMBL 5.389999866485596)
Descriptors: MW 297.4, ALogP 2.7, HBA 3, HBD 2, PSA 43.7, QED 0.91
Compound (SMILES): COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: QGTSAVPZRGXSBO-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 295 nM (pChEMBL 6.53000020980835)
Descriptors: MW 311.43, ALogP 3.36, HBA 3, HBD 1, PSA 32.7, QED 0.92
Compound (SMILES): CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: ZZEVNYNMIVJANK-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 134 nM (pChEMBL 6.869999885559082)
Descriptors: MW 325.45, ALogP 3.75, HBA 3, HBD 1, PSA 32.7, QED 0.88
Compound (SMILES): COC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: QESUWOVHACTYFJ-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 1887 nM (pChEMBL 5.71999979019165)
Descriptors: MW 325.41, ALogP 2.88, HBA 4, HBD 1, PSA 49.77, QED 0.88
Compound (SMILES): N#CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: ZOOGTMTYWXIEHN-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 292.38, ALogP 3.23, HBA 3, HBD 1, PSA 47.26, QED 0.94
Compound (SMILES): O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: ZAXWEHCCAIIFBR-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 8183 nM (pChEMBL 5.090000152587891)
Descriptors: MW 422.48, ALogP 4.63, HBA 3, HBD 2, PSA 52.57, QED 0.63
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: PMLFKOKTRMHUPA-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membranes
Measurement: Ki = 1666 nM (pChEMBL 5.78000020980835)
Descriptors: MW 343.47, ALogP 4.76, HBA 2, HBD 1, PSA 23.47, QED 0.74
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1
InChIKey: QSLDTFSIHIFQFN-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 214 nM (pChEMBL 6.670000076293945)
Descriptors: MW 344.46, ALogP 4.15, HBA 3, HBD 1, PSA 36.36, QED 0.77
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1
InChIKey: MEUYOYHIZBZUGT-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 323 nM (pChEMBL 6.489999771118164)
Descriptors: MW 344.46, ALogP 4.15, HBA 3, HBD 1, PSA 36.36, QED 0.77
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1
InChIKey: AEUSAZUUXLNHOA-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 349.5, ALogP 4.82, HBA 3, HBD 1, PSA 23.47, QED 0.73
Compound (SMILES): Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1
InChIKey: ODFDCTDNLNJAAY-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 357.5, ALogP 5.07, HBA 2, HBD 1, PSA 23.47, QED 0.7
Compound (SMILES): Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1
InChIKey: RKHFFYFBKRWGAL-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 357.5, ALogP 5.07, HBA 2, HBD 1, PSA 23.47, QED 0.7
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1
InChIKey: VBFYXOKBNYPBSS-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 411.47, ALogP 5.78, HBA 2, HBD 1, PSA 23.47, QED 0.59
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1
InChIKey: CXKJTTFMVSISJF-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 357 nM (pChEMBL 6.449999809265137)
Descriptors: MW 411.47, ALogP 5.78, HBA 2, HBD 1, PSA 23.47, QED 0.59
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
InChIKey: GTMJMDBNWVOYOR-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 225 nM (pChEMBL 6.650000095367432)
Descriptors: MW 411.47, ALogP 5.78, HBA 2, HBD 1, PSA 23.47, QED 0.59
Compound (SMILES): CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: KGIQHUIJGWLRHH-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 371.52, ALogP 5.32, HBA 2, HBD 1, PSA 23.47, QED 0.66
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1
InChIKey: AYGQBTFSCJJCQP-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 377.92, ALogP 5.41, HBA 2, HBD 1, PSA 23.47, QED 0.66
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1
InChIKey: CBDYMAGHGCBOIN-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 377.92, ALogP 5.41, HBA 2, HBD 1, PSA 23.47, QED 0.66
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey: SOLFPCMRRJJYRY-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 132 nM (pChEMBL 6.880000114440918)
Descriptors: MW 377.92, ALogP 5.41, HBA 2, HBD 1, PSA 23.47, QED 0.66
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1
InChIKey: UUVPAMPYCDXAEZ-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 361.46, ALogP 4.9, HBA 2, HBD 1, PSA 23.47, QED 0.71
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1
InChIKey: JTMATQKFBDAKLY-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 422.37, ALogP 5.52, HBA 2, HBD 1, PSA 23.47, QED 0.6
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1
InChIKey: YOAVUYWZADOFCT-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 422.37, ALogP 5.52, HBA 2, HBD 1, PSA 23.47, QED 0.6
Compound (SMILES): COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: DFUCPZAAMSSVDD-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 373.5, ALogP 4.77, HBA 3, HBD 1, PSA 32.7, QED 0.7
Compound (SMILES): OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: CTRHVTATDSKVGA-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 373.5, ALogP 4.25, HBA 3, HBD 2, PSA 43.7, QED 0.7
Compound (SMILES): O=C(O)c1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: TWUUONUASYAYNH-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 6753 nM (pChEMBL 5.170000076293945)
Descriptors: MW 387.48, ALogP 4.46, HBA 3, HBD 2, PSA 60.77, QED 0.68
Compound (SMILES): Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1
InChIKey: MHYKPRJMOSXVFG-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 371.52, ALogP 5.38, HBA 2, HBD 1, PSA 23.47, QED 0.67
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1
InChIKey: VYRHTEGFBOSTMB-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 412.36, ALogP 6.07, HBA 2, HBD 1, PSA 23.47, QED 0.56
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1
InChIKey: OIIFNPJMKAMCSP-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 379.45, ALogP 5.04, HBA 2, HBD 1, PSA 23.47, QED 0.69
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey: IJRALPJTKYGSIJ-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 379.45, ALogP 5.04, HBA 2, HBD 1, PSA 23.47, QED 0.69
Compound (SMILES): OC1(c2ccccc2)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1
InChIKey: SZRDKDPGVLBEJJ-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 501.26, ALogP 6.28, HBA 2, HBD 1, PSA 23.47, QED 0.45
Compound (SMILES): Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(C(=O)O)c2cc[nH]c2c1
InChIKey: BEHWVVDVWLWXCI-UHFFFAOYSA-N
Target: Prostaglandin E2 receptor EP1 subtype (SINGLE PROTEIN), Homo sapiens
UniProt: P34995
Assay: Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane
Measurement: IC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 456.93, ALogP 6.86, HBA 3, HBD 2, PSA 67.25, QED 0.29
Compound (SMILES): COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1
InChIKey: MEIKCNSXEAPYGM-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 403.52, ALogP 4.78, HBA 4, HBD 1, PSA 41.93, QED 0.64
Compound (SMILES): COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1
InChIKey: MNSWUSPDBOEDFB-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 439 nM (pChEMBL 6.360000133514404)
Descriptors: MW 403.52, ALogP 4.78, HBA 4, HBD 1, PSA 41.93, QED 0.64
Compound (SMILES): COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: ULOWZIQCEGBTDH-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 357.5, ALogP 5.41, HBA 2, HBD 0, PSA 12.47, QED 0.6
Compound (SMILES): CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: HFALMYBPBZADRA-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 371.52, ALogP 5.8, HBA 2, HBD 0, PSA 12.47, QED 0.54
Compound (SMILES): CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: RCNHZINTASPDKK-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 385.55, ALogP 6.19, HBA 2, HBD 0, PSA 12.47, QED 0.48
Compound (SMILES): c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIKey: KSNUQMXXRSKFOM-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 433.6, ALogP 6.98, HBA 2, HBD 0, PSA 12.47, QED 0.31
Compound (SMILES): Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIKey: GBDUIWBXAKZJPC-UHFFFAOYSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 357.5, ALogP 5.07, HBA 2, HBD 1, PSA 23.47, QED 0.7
Compound (SMILES): Cc1cc(COc2ccc(C(=O)NCC3(C)NC(=O)NC3=O)cc2)c2ccccc2n1
InChIKey: BDTGEWQPSASMAZ-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 418.45, ALogP 2.45, HBA 5, HBD 3, PSA 109.42, QED 0.53
Compound (SMILES): Cc1cc(COc2ccc(S(=O)(=O)NCC3(C)NC(=O)NC3=O)cc2)c2ccccc2n1
InChIKey: FABNMTMBXQFDAV-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 454.51, ALogP 2, HBA 6, HBD 3, PSA 126.49, QED 0.47
Compound (SMILES): Cc1cc(COc2ccc(C(=O)Nc3ccccc3C3NC(=O)NC3=O)cc2)c2ccccc2n1
InChIKey: IKRKDUGQVRSGJX-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 466.5, ALogP 4.26, HBA 5, HBD 3, PSA 109.42, QED 0.37
Compound (SMILES): Cc1cc(COc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIKey: HGNMRIKSORWTLJ-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 389.42, ALogP 2.46, HBA 5, HBD 3, PSA 112.76, QED 0.47
Compound (SMILES): Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIKey: GQLPTZZPKXZFQR-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 = 439 nM (pChEMBL 6.360000133514404)
Descriptors: MW 425.47, ALogP 2.01, HBA 6, HBD 3, PSA 129.83, QED 0.42
Compound (SMILES): Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIKey: SBINJYYFUVHVNU-UPVQGACJSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 544.61, ALogP 3.67, HBA 7, HBD 3, PSA 142.3, QED 0.34
Compound (SMILES): Cc1cc(COc2ccc(C(=O)Nc3ccccc3Cc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIKey: BSAORORNNRENRI-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 465.51, ALogP 4.38, HBA 5, HBD 3, PSA 112.76, QED 0.33
Compound (SMILES): Cc1cc(COc2ccc(C(=O)Nc3ccccc3Cc3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIKey: CLYVYZOSMYXOBC-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: Inhibition of pTACE
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 464.53, ALogP 4.98, HBA 4, HBD 3, PSA 99.87, QED 0.32
Compound (SMILES): Cc1cc(COc2ccc(C(=O)Nc3ccccc3C(=O)c3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIKey: HVVGLHPJPUUJHI-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Sus scrofa
UniProt: O77636
Assay: Inhibition of pig TACE
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 478.51, ALogP 4.62, HBA 5, HBD 3, PSA 116.94, QED 0.3
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIKey: SOVOJYOIAXOTIM-WDZFZDKYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 268.28, ALogP 2, HBA 2, HBD 4, PSA 100.01, QED 0.63
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)O)c[nH]1)C(=O)N2
InChIKey: TUJPTADWUUEJPE-WZUFQYTHSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 312.29, ALogP 1.7, HBA 3, HBD 5, PSA 137.31, QED 0.55
Compound (SMILES): Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccc(NC(N)=O)cc21
InChIKey: HTFVUONILLSIET-YHYXMXQVSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 326.31, ALogP 2, HBA 3, HBD 5, PSA 137.31, QED 0.55
Compound (SMILES): Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccc(NC(N)=O)cc21
InChIKey: IYCLDXCYBZSIAQ-QPEQYQDCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 354.37, ALogP 2.32, HBA 3, HBD 5, PSA 137.31, QED 0.53
Compound (SMILES): Cc1[nH]c(/C=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c(C)c1CCC(=O)O
InChIKey: SNUCYAQWRAUYRP-ZSOIEALJSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 368.39, ALogP 2.63, HBA 3, HBD 5, PSA 137.31, QED 0.52
Compound (SMILES): CN(C)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1
InChIKey: REJNNNBQXIZBJP-DHDCSXOGSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 382.42, ALogP 1.29, HBA 4, HBD 5, PSA 132.35, QED 0.48
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCN3CCCCC3)c[nH]1)C(=O)N2
InChIKey: RJJPYOHCKJYJPH-PDGQHHTCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 422.49, ALogP 2.21, HBA 4, HBD 5, PSA 132.35, QED 0.46
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCN3CCOCC3)c[nH]1)C(=O)N2
InChIKey: RBOZDIXMEJGUHI-BOPFTXTBSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 424.46, ALogP 1.06, HBA 5, HBD 5, PSA 141.58, QED 0.44
Compound (SMILES): CN(C)C1CCN(C(=O)c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)C1
InChIKey: ATFQPKTWMGKIQS-MFOYZWKCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 408.46, ALogP 1.77, HBA 4, HBD 4, PSA 123.56, QED 0.58
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCc3cnc[nH]3)c[nH]1)C(=O)N2
InChIKey: OEVLFLMMFGQZDL-APSNUPSMSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 405.42, ALogP 1.69, HBA 4, HBD 6, PSA 157.79, QED 0.34
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCc3ccncc3)c[nH]1)C(=O)N2
InChIKey: VYUCXCHYYRTQIX-WQRHYEAKSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 416.44, ALogP 2.37, HBA 4, HBD 5, PSA 142, QED 0.39
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3ccccc3)c[nH]1)C(=O)N2
InChIKey: SOZLQZRDILXEMY-YVLHZVERSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 344.37, ALogP 3.67, HBA 2, HBD 4, PSA 100.01, QED 0.55
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccnc3)c[nH]1)C(=O)N2
InChIKey: XROQQHOCADBSBW-PXNMLYILSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 345.36, ALogP 3.06, HBA 3, HBD 4, PSA 112.9, QED 0.55
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(=O)O)c3)c[nH]1)C(=O)N2
InChIKey: YIUCWIKVMNKNTC-MFOYZWKCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 388.38, ALogP 3.36, HBA 3, HBD 5, PSA 137.31, QED 0.44
Compound (SMILES): CN(C)CCNC(=O)c1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIKey: NCMNSDQGHJLYTB-BKUYFWCQSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 458.52, ALogP 2.96, HBA 4, HBD 5, PSA 132.35, QED 0.35
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c[nH]1)C(=O)N2
InChIKey: LBQOBBCURKRQJV-JLPGSUDCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 498.59, ALogP 3.88, HBA 4, HBD 5, PSA 132.35, QED 0.32
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(O)c3)c[nH]1)C(=O)N2
InChIKey: PFPJHXYCUWHBHV-MFOYZWKCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 360.37, ALogP 3.37, HBA 3, HBD 5, PSA 120.24, QED 0.46
Compound (SMILES): COc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIKey: RULBQJYTXYLQOK-ZDLGFXPLSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 374.4, ALogP 3.67, HBA 3, HBD 4, PSA 109.24, QED 0.52
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(F)c3)c[nH]1)C(=O)N2
InChIKey: GSANTMGDHXCBLR-MFOYZWKCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 362.36, ALogP 3.8, HBA 2, HBD 4, PSA 100.01, QED 0.53
Compound (SMILES): Cc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIKey: HAWIAGQHDCBUDW-ZDLGFXPLSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 358.4, ALogP 3.97, HBA 2, HBD 4, PSA 100.01, QED 0.53
Compound (SMILES): NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(N)=O)c3)c[nH]1)C(=O)N2
InChIKey: NXUWGUQHCIIYBD-MFOYZWKCSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 387.4, ALogP 2.76, HBA 3, HBD 5, PSA 143.1, QED 0.44
Compound (SMILES): CC(=O)Nc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIKey: LELXPYUUIHYFLJ-GRSHGNNSSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 401.43, ALogP 3.62, HBA 3, HBD 5, PSA 129.11, QED 0.43
Compound (SMILES): NCc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIKey: PNBXRRJXVOABCN-NVMNQCDNSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 373.42, ALogP 3.12, HBA 3, HBD 5, PSA 126.03, QED 0.45
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1
InChIKey: DFURSNCTQGJRRX-JYRVWZFOSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 282.3, ALogP 2.39, HBA 2, HBD 4, PSA 100.01, QED 0.64
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CN)c[nH]1
InChIKey: DUCXJHSBLDKCIK-ZSOIEALJSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 311.35, ALogP 1.85, HBA 3, HBD 5, PSA 126.03, QED 0.56
Compound (SMILES): CC(=O)NCc1c[nH]c(/C(C)=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1
InChIKey: LOQFJHOTUSHCJC-SXGWCWSVSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 353.38, ALogP 2.02, HBA 3, HBD 5, PSA 129.11, QED 0.54
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)c2ccncc2)c[nH]1
InChIKey: AWQLNADWVBCMHO-UNOMPAQXSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 416.44, ALogP 2.71, HBA 4, HBD 5, PSA 142, QED 0.41
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)c2cccnc2)c[nH]1
InChIKey: NTOPCHNZZCMHKE-UNOMPAQXSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 416.44, ALogP 2.71, HBA 4, HBD 5, PSA 142, QED 0.41
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C2CCNCC2)c[nH]1
InChIKey: DRPJZMIFBAXAKX-UNOMPAQXSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 422.49, ALogP 2, HBA 4, HBD 6, PSA 141.14, QED 0.41
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C2CCN(C)CC2)c[nH]1
InChIKey: ANTIKNNFTURTLK-MOSHPQCFSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 436.52, ALogP 2.35, HBA 4, HBD 5, PSA 132.35, QED 0.46
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C2CNCCN2)c[nH]1
InChIKey: PANBKHQUCFTTQA-WQRHYEAKSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 423.48, ALogP 0.57, HBA 5, HBD 7, PSA 153.17, QED 0.35
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CN)c[nH]1
InChIKey: WIWPGJGLUKQUKV-SXGWCWSVSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 368.4, ALogP 0.96, HBA 4, HBD 6, PSA 155.13, QED 0.43
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CO)c[nH]1
InChIKey: UQSUHZYCCQIWGQ-SXGWCWSVSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 369.38, ALogP 1, HBA 4, HBD 6, PSA 149.34, QED 0.44
Compound (SMILES): C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CCN2CCCCC2)c[nH]1
InChIKey: UKOYDWAFPPPEKW-JCMHNJIXSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Inhibition of AKT2
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 450.54, ALogP 2.88, HBA 4, HBD 5, PSA 132.35, QED 0.41
Compound (SMILES): O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIKey: GBPSNGYZLNXBNX-UHFFFAOYSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 432.43, ALogP 3.73, HBA 6, HBD 2, PSA 95.12, QED 0.65
Compound (SMILES): C=CC[S+]([O-])CC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: IHUCBQQFKFUGJU-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 367.51, ALogP 4.88, HBA 3, HBD 1, PSA 44.32, QED 0.58
Compound (SMILES): O=C(Nc1ccccc1F)c1cccc(C(=O)Nc2ccccc2F)c1
InChIKey: NGMBMIKWVLIQJO-UHFFFAOYSA-N
Target: Histone-lysine N-methyltransferase 2A (SINGLE PROTEIN), Homo sapiens
UniProt: Q03164
Assay: PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]
Measurement: Potency = 89125.1 nM (pChEMBL 4.050000190734863)
Descriptors: MW 352.34, ALogP 4.47, HBA 2, HBD 2, PSA 58.2, QED 0.73
Compound (SMILES): C=CCSC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: GWXSFBMSMRCBDS-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 = 116 nM (pChEMBL 6.940000057220459)
Descriptors: MW 365.54, ALogP 6.26, HBA 3, HBD 1, PSA 21.26, QED 0.61
Compound (SMILES): C=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: AHCZZOJYVQVLQG-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 = 116 nM (pChEMBL 6.940000057220459)
Descriptors: MW 349.47, ALogP 5.54, HBA 3, HBD 1, PSA 30.49, QED 0.69
Compound (SMILES): C=CCOC(CC)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: JJBGOTRJBHAAQW-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 = 355 nM (pChEMBL 6.449999809265137)
Descriptors: MW 363.5, ALogP 5.93, HBA 3, HBD 1, PSA 30.49, QED 0.62
Compound (SMILES): C=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)C(C)C
InChIKey: UQGIWZOYDNHCSJ-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 377.53, ALogP 6.18, HBA 3, HBD 1, PSA 30.49, QED 0.58
Compound (SMILES): C=CCOC(CCC)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: RIIJLXFIVQWZNO-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 377.53, ALogP 6.32, HBA 3, HBD 1, PSA 30.49, QED 0.55
Compound (SMILES): C=CCOC(CC=C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: JVSMSOQVLPRHJX-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 375.51, ALogP 6.1, HBA 3, HBD 1, PSA 30.49, QED 0.57
Compound (SMILES): C=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)c1ccccc1
InChIKey: IGNUMFRXLRBTMF-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 411.55, ALogP 6.89, HBA 3, HBD 1, PSA 30.49, QED 0.43
Compound (SMILES): C=CCOC(Cc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: LXTIFZGYEFYLBT-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 425.57, ALogP 6.76, HBA 3, HBD 1, PSA 30.49, QED 0.4
Compound (SMILES): C=CCOC(CCc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIKey: KPAXBIAZFPSKKK-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence polarization assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 439.6, ALogP 7.15, HBA 3, HBD 1, PSA 30.49, QED 0.36