lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nnc2c1
InChIKey: DYFVAWAGGLMDNZ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins by luciferase-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 588.73, ALogP 5.6, HBA 8, HBD 1, PSA 117.62, QED 0.32
Compound (SMILES): C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: QFUXJZMXUXQIIB-FXBGSENESA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 414.33, ALogP 3.2, HBA 7, HBD 4, PSA 110.99, QED 0.58
Compound (SMILES): C[C@@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)(C)O
InChIKey: XJQPUMGIUIXVMH-XIVKRJNJSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 428.36, ALogP 3.59, HBA 7, HBD 4, PSA 110.99, QED 0.56
Compound (SMILES): C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: LPPPFWQCXCFAAN-NEDPPGOKSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 415.31, ALogP 3.17, HBA 7, HBD 3, PSA 108.19, QED 0.67
Compound (SMILES): C[C@@H](Nc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1Br)C(C)(C)O
InChIKey: RYQTYXLOEDUZBQ-TYUJQUHCSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 454.39, ALogP 4.12, HBA 7, HBD 4, PSA 110.99, QED 0.5
Compound (SMILES): C[C@H](CO)Nc1nc(Nc2ccc(S(=O)(CC3CC3)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br
InChIKey: ZYCZBHOTFFLHPY-RHQOBYNCSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 604.67
Compound (SMILES): C[C@@H](Nc1nc(Nc2ccc(S(=N)(=O)CC3CC3)cc2)ncc1Br)C(C)(C)O
InChIKey: WXFGSMZOKBRNIJ-RKWVHCRBSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 468.42, ALogP 4.37, HBA 7, HBD 4, PSA 110.99, QED 0.46
Compound (SMILES): C[C@@H](Nc1nc(Nc2ccc(S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C3CCCC3)cc2)ncc1Br)C(C)(C)O
InChIKey: FSTHQQCZUGMTKG-RPLKYZAMSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 646.75
Compound (SMILES): C[C@@H](Nc1nc(Nc2ccc(S(=N)(=O)C3CCCC3)cc2)ncc1Br)C(C)(C)O
InChIKey: PLXAEHIIAZHAND-RNHBAAACSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 482.45, ALogP 4.9, HBA 7, HBD 4, PSA 110.99, QED 0.45
Compound (SMILES): C[C@@H](Nc1nc(Nc2ccc(S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br)C(C)(C)O
InChIKey: GUQGZGWZZNIUIH-LXAPUOBYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 620.67
Compound (SMILES): C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br
InChIKey: GXLXGKDGYHMQHG-AZFZMOAFSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 606.64
Compound (SMILES): C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=O)(CCO)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br
InChIKey: XMMSPSBDKCHHAF-FOCZCJQRSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 609.64
Compound (SMILES): COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O
InChIKey: JQLOWVFMFQYNIP-LFYNBYACSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 445.34, ALogP 3.17, HBA 8, HBD 3, PSA 117.42, QED 0.6
Compound (SMILES): CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1
InChIKey: GEICEYBJACBCSI-CPYOLTPOSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 428.36, ALogP 3.25, HBA 7, HBD 3, PSA 99.5, QED 0.65
Compound (SMILES): CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1
InChIKey: DLNVXQGIVOPKFV-KTDAUSLXSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 500.42, ALogP 4.17, HBA 8, HBD 3, PSA 125.8, QED 0.52
Compound (SMILES): CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1
InChIKey: HNMARRTVPIAGPR-GZWOMBDOSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 486.39, ALogP 3.78, HBA 8, HBD 3, PSA 125.8, QED 0.54
Compound (SMILES): CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1
InChIKey: KZTJASZKBUWOAR-LOTLZRDFSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 530.45, ALogP 3.79, HBA 9, HBD 3, PSA 135.03, QED 0.42
Compound (SMILES): CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1
InChIKey: UEZCXGAWLVJWFC-JNQZTWDXSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 516.42, ALogP 3.4, HBA 9, HBD 3, PSA 135.03, QED 0.46
Compound (SMILES): CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1
InChIKey: HATXFEHOSXEUOA-BWFPZVSSSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 514.45, ALogP 4.56, HBA 8, HBD 3, PSA 125.8, QED 0.47
Compound (SMILES): CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1
InChIKey: HCZOVFUFNUCZIL-NRSAYIQQSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 500.42, ALogP 4.17, HBA 8, HBD 3, PSA 125.8, QED 0.49
Compound (SMILES): CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1C
InChIKey: QRFLQPASPZXMRX-BWFPZVSSSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 514.45, ALogP 4.48, HBA 8, HBD 3, PSA 125.8, QED 0.49
Compound (SMILES): CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1C
InChIKey: IKUYWTLLGLHBDR-NRSAYIQQSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 500.42, ALogP 4.09, HBA 8, HBD 3, PSA 125.8, QED 0.52
Compound (SMILES): CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1
InChIKey: REXVDVJGJLCSGU-ZDOIGZRISA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 501.4, ALogP 4.13, HBA 8, HBD 2, PSA 123, QED 0.55
Compound (SMILES): CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1
InChIKey: QENSBTHLGFPXQZ-ZTRAIXJASA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 487.38, ALogP 3.74, HBA 8, HBD 2, PSA 123, QED 0.61
Compound (SMILES): CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@H](C)O)n2)cc1
InChIKey: JWOJZWRKDLDOEO-XGJBOMSMSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 458.38, ALogP 3.22, HBA 8, HBD 4, PSA 120.22, QED 0.46
Compound (SMILES): CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1
InChIKey: KAAFPSZABFPQAX-CPYOLTPOSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 428.36, ALogP 3.59, HBA 7, HBD 4, PSA 110.99, QED 0.54
Compound (SMILES): Cc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O
InChIKey: GJVPWZGJUOVEBA-CPYOLTPOSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 428.36, ALogP 3.51, HBA 7, HBD 4, PSA 110.99, QED 0.56
Compound (SMILES): CCOc1nc(Nc2ccc(S(=N)(=O)CC)cc2)ncc1Br
InChIKey: ARRKXMMPNGFEAU-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 63 nM (pChEMBL 7.199999809265137)
Descriptors: MW 385.29, ALogP 3.81, HBA 6, HBD 2, PSA 87.96, QED 0.79
Compound (SMILES): C[C@H](CO)Nc1nc(Nc2ccc(S(C)(=O)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br
InChIKey: ABRBNWJYESXFLE-PWSAKUHLSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 564.6
Compound (SMILES): C=S(N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)CO)n2)cc1
InChIKey: RUBJVVPNQNTSNY-UNQQDFMRSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 400.3, ALogP 1.72, HBA 6, HBD 4, PSA 113.16, QED 0.55
Compound (SMILES): CCC(C)Sc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: YEPIOFDLMGAKEX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 415.38, ALogP 4.91, HBA 6, HBD 2, PSA 78.73, QED 0.52
Compound (SMILES): CC(O)CSc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: BMCMBYDRKUTWFB-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 417.35, ALogP 3.49, HBA 7, HBD 3, PSA 98.96, QED 0.49
Compound (SMILES): CC(O)C(C)Sc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: DULGHLDQYKRXTJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 431.38, ALogP 3.88, HBA 7, HBD 3, PSA 98.96, QED 0.47
Compound (SMILES): CCC(Sc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)O
InChIKey: MKCHHXTWUNRKMA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 445.41, ALogP 4.27, HBA 7, HBD 3, PSA 98.96, QED 0.43
Compound (SMILES): CC(Sc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)(C)O
InChIKey: VAFGRMAYAKICTQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 445.41, ALogP 4.27, HBA 7, HBD 3, PSA 98.96, QED 0.45
Compound (SMILES): CCC(Sc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)(C)O
InChIKey: CTBIJMZOVXFZMW-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 459.44, ALogP 4.66, HBA 7, HBD 3, PSA 98.96, QED 0.41
Compound (SMILES): CC(CO)Sc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: WWAYNSNYYIIADR-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 417.35, ALogP 3.49, HBA 7, HBD 3, PSA 98.96, QED 0.49
Compound (SMILES): C[C@@H](Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br)C(C)(C)O
InChIKey: WFNUAOKMXUQUHV-TYUJQUHCSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 458.38, ALogP 2.95, HBA 8, HBD 5, PSA 131.22, QED 0.41
Compound (SMILES): C[C@H](Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br)C(C)(C)O
InChIKey: WFNUAOKMXUQUHV-QLWIJMGASA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 458.38, ALogP 2.95, HBA 8, HBD 5, PSA 131.22, QED 0.41
Compound (SMILES): C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br
InChIKey: KJSJBGZSEZVHMS-ZNTSSAEJSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 444.36, ALogP 2.56, HBA 8, HBD 5, PSA 131.22, QED 0.42
Compound (SMILES): C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br
InChIKey: KJSJBGZSEZVHMS-CTCMXSBHSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 444.36, ALogP 2.56, HBA 8, HBD 5, PSA 131.22, QED 0.42
Compound (SMILES): COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O
InChIKey: GNODSQUZRSUVER-MVVIKVQCSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 444.36, ALogP 3.21, HBA 8, HBD 4, PSA 120.22, QED 0.52
Compound (SMILES): COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O
InChIKey: GNODSQUZRSUVER-QILFFNKJSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 444.36, ALogP 3.21, HBA 8, HBD 4, PSA 120.22, QED 0.52
Compound (SMILES): CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1OC
InChIKey: IFRYUGXGLYZVSY-LOMOHKHYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 458.38, ALogP 3.26, HBA 8, HBD 3, PSA 108.73, QED 0.58
Compound (SMILES): CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1OC
InChIKey: IFRYUGXGLYZVSY-AXFCNIPNSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 458.38, ALogP 3.26, HBA 8, HBD 3, PSA 108.73, QED 0.58
Compound (SMILES): COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O
InChIKey: VEMUNZLIOXAWMA-VQLJPOJZSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 458.38, ALogP 3.6, HBA 8, HBD 4, PSA 120.22, QED 0.5
Compound (SMILES): C[C@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)(C)O
InChIKey: XJQPUMGIUIXVMH-QEZCQBAUSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 428.36, ALogP 3.59, HBA 7, HBD 4, PSA 110.99, QED 0.56
Compound (SMILES): C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: QFUXJZMXUXQIIB-FVOQNFDRSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 414.33, ALogP 3.2, HBA 7, HBD 4, PSA 110.99, QED 0.58
Compound (SMILES): COC[C@@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)[C@@H](C)O
InChIKey: CXDXSBLYPKFPLO-VXMTXHJISA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 444.36, ALogP 2.83, HBA 8, HBD 4, PSA 120.22, QED 0.49
Compound (SMILES): COC[C@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)[C@H](C)O
InChIKey: CXDXSBLYPKFPLO-WSQDCVBFSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 444.36, ALogP 2.83, HBA 8, HBD 4, PSA 120.22, QED 0.49
Compound (SMILES): CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@@H](C)O)n2)cc1
InChIKey: JWOJZWRKDLDOEO-KOAHPMOKSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 458.38, ALogP 3.22, HBA 8, HBD 4, PSA 120.22, QED 0.46
Compound (SMILES): CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1
InChIKey: JWOJZWRKDLDOEO-MECYXVKMSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 458.38, ALogP 3.22, HBA 8, HBD 4, PSA 120.22, QED 0.46
Compound (SMILES): CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1
InChIKey: KAAFPSZABFPQAX-KFFJFEDVSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 428.36, ALogP 3.59, HBA 7, HBD 4, PSA 110.99, QED 0.54
Compound (SMILES): CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1
InChIKey: BIOJVWLNPPOUGW-RRSIMWOXSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 442.38, ALogP 3.98, HBA 7, HBD 4, PSA 110.99, QED 0.52
Compound (SMILES): CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)cc1
InChIKey: BIOJVWLNPPOUGW-AIGWJHGLSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 442.38, ALogP 3.98, HBA 7, HBD 4, PSA 110.99, QED 0.52
Compound (SMILES): Cc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O
InChIKey: GKJRCQIJVHMRJB-RRSIMWOXSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 442.38, ALogP 3.9, HBA 7, HBD 4, PSA 110.99, QED 0.54
Compound (SMILES): Cc1cc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O
InChIKey: GKJRCQIJVHMRJB-AIGWJHGLSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 442.38, ALogP 3.9, HBA 7, HBD 4, PSA 110.99, QED 0.54
Compound (SMILES): CC(C)Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: CJGRDNJVZKGEBB-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 384.3, ALogP 3.84, HBA 6, HBD 3, PSA 90.76, QED 0.73
Compound (SMILES): CCC(CO)Sc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: GLHAYKFNIDJXMB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 431.38, ALogP 3.88, HBA 7, HBD 3, PSA 98.96, QED 0.45
Compound (SMILES): CC(C)(O)CSc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br
InChIKey: XUECOEIJYADXBH-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Kinase Assay: Kinase assay using either CDK1, CDK2 or VEGFR-2.
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 431.38, ALogP 3.88, HBA 7, HBD 3, PSA 98.96, QED 0.47
Compound (SMILES): CCCC(Oc1ccc(-n2cc(Cl)c(C)n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: GJOAZLOKGBILDS-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 665 nM (pChEMBL 6.179999828338623)
Descriptors: MW 455.94, ALogP 4.96, HBA 5, HBD 2, PSA 93.45, QED 0.45
Compound (SMILES): CCCCc1ccn(-c2ccc(OC(CCC)c3ccc(C(=O)NCCC(=O)O)cc3)cc2)n1
InChIKey: ZSFWLJDUORSGEN-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 1331 nM (pChEMBL 5.880000114440918)
Descriptors: MW 463.58, ALogP 5.34, HBA 5, HBD 2, PSA 93.45, QED 0.36
Compound (SMILES): CCCC(Oc1ccc(-c2cc(C(F)(F)F)nn2C)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: OIKQATAKVCTLBG-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 556 nM (pChEMBL 6.25)
Descriptors: MW 489.49, ALogP 5.23, HBA 5, HBD 2, PSA 93.45, QED 0.41
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C2CCCC2)cc1
InChIKey: KZWVSKJOXJGUQM-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 501.51, ALogP 4.83, HBA 6, HBD 3, PSA 109.14, QED 0.39
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCCCC2)cc1
InChIKey: BUHOCUGQWONNJV-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 515.54, ALogP 5.22, HBA 6, HBD 3, PSA 109.14, QED 0.36
Compound (SMILES): Cc1cc(NC(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)cnc1-n1cc(C(F)(F)F)cn1
InChIKey: HWVPKJAIAFMSII-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 69.8 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.53, ALogP 5, HBA 6, HBD 3, PSA 109.14, QED 0.36
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCC2)cc1
InChIKey: XRPOBIXWDUDUHV-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 91.9 nM (pChEMBL 7.039999961853027)
Descriptors: MW 487.48, ALogP 4.44, HBA 6, HBD 3, PSA 109.14, QED 0.41
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(CC2CC2)Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)cc1
InChIKey: SEFOVYBHDVRFFB-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 71.6 nM (pChEMBL 7.139999866485596)
Descriptors: MW 487.48, ALogP 4.44, HBA 6, HBD 3, PSA 109.14, QED 0.39
Compound (SMILES): CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1F
InChIKey: IFEZFNOAFDDSJQ-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 493.46, ALogP 4.58, HBA 6, HBD 3, PSA 109.14, QED 0.36
Compound (SMILES): CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1C
InChIKey: UHKIKNAFTJHJQZ-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 202 nM (pChEMBL 6.699999809265137)
Descriptors: MW 489.5, ALogP 4.75, HBA 6, HBD 3, PSA 109.14, QED 0.38
Compound (SMILES): CC1(C)CC(C(Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1
InChIKey: FNEBFXHBMCLZJO-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 7.6 nM (pChEMBL 8.119999885559082)
Descriptors: MW 515.54, ALogP 5.08, HBA 6, HBD 3, PSA 109.14, QED 0.37
Compound (SMILES): CCCC(Oc1ccc(-n2cc3ccccc3n2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: VJAMDVKYVBNFEP-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 464 nM (pChEMBL 6.329999923706055)
Descriptors: MW 471.56, ALogP 5.46, HBA 5, HBD 2, PSA 93.45, QED 0.32
Compound (SMILES): Cc1cc(-n2cc(C(F)(F)F)cn2)ccc1C(Nc1ccc(C(=O)NCCC(=O)O)cn1)C1CCCCC1
InChIKey: JJPWRRLNNWIOGE-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 183 nM (pChEMBL 6.739999771118164)
Descriptors: MW 529.56, ALogP 5.53, HBA 6, HBD 3, PSA 109.14, QED 0.34
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Oc2ccc(-n3cc4ccccc4n3)cc2)C2CCCC2)cc1
InChIKey: QRMRKAICDKRKSM-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 483.57, ALogP 5.54, HBA 5, HBD 2, PSA 93.45, QED 0.33
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cnc(Cl)c3)nc2)C2CCCC2)cc1
InChIKey: SFGJNYVXQMKBBM-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 225 nM (pChEMBL 6.650000095367432)
Descriptors: MW 467.96, ALogP 4.47, HBA 6, HBD 3, PSA 109.14, QED 0.43
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C(F)(F)F)cc1
InChIKey: FZCFBHWLODQMMR-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 298 nM (pChEMBL 6.53000020980835)
Descriptors: MW 501.39, ALogP 4.21, HBA 6, HBD 3, PSA 109.14, QED 0.4
Compound (SMILES): CC(C)(C)c1cn(-c2ccc(NC(c3ccc(C(=O)NCCC(=O)O)cc3)C3CCCC3)cn2)cn1
InChIKey: HXZIMMGFIFILFH-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 45.7 nM (pChEMBL 7.340000152587891)
Descriptors: MW 489.62, ALogP 5.11, HBA 6, HBD 3, PSA 109.14, QED 0.39
Compound (SMILES): CC(C)c1cn(-c2ccc(NC(c3ccc(C(=O)NCCC(=O)O)cc3)C3CCCC3)cn2)cn1
InChIKey: KXXXDFVZFDYDQO-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 88.4 nM (pChEMBL 7.050000190734863)
Descriptors: MW 475.59, ALogP 4.94, HBA 6, HBD 3, PSA 109.14, QED 0.38
Compound (SMILES): CCCC(Oc1ccc(-n2cc3cccc(C)c3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: VLJVNIRYGAOFEL-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 98.2 nM (pChEMBL 7.010000228881836)
Descriptors: MW 471.56, ALogP 5.46, HBA 5, HBD 2, PSA 93.45, QED 0.32
Compound (SMILES): CCCC(Oc1ccc(-n2cc3ccc(C)cc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: DYAPHJPLWOOUKU-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 161 nM (pChEMBL 6.789999961853027)
Descriptors: MW 471.56, ALogP 5.46, HBA 5, HBD 2, PSA 93.45, QED 0.32
Compound (SMILES): CCCC(Oc1ccc(-n2cc3c(C)cccc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: VCEOHNAMGCBXPI-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 316 nM (pChEMBL 6.5)
Descriptors: MW 471.56, ALogP 5.46, HBA 5, HBD 2, PSA 93.45, QED 0.32
Compound (SMILES): CCCC(Oc1ccc(-n2cc3cc(C)ccc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: BPRIIFWGWNQLTH-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 208 nM (pChEMBL 6.679999828338623)
Descriptors: MW 471.56, ALogP 5.46, HBA 5, HBD 2, PSA 93.45, QED 0.32
Compound (SMILES): CCCC(Nc1ccc(-n2cnc(-c3ccccc3)c2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: HMLQJZPZWHDYKS-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 29.3 nM (pChEMBL 7.53000020980835)
Descriptors: MW 483.57, ALogP 5.09, HBA 6, HBD 3, PSA 109.14, QED 0.27
Compound (SMILES): CCCC(Oc1cc(C)c(-n2cc(Cl)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: YSXQMXDWLYELFV-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 116 nM (pChEMBL 6.940000057220459)
Descriptors: MW 469.97, ALogP 5.27, HBA 5, HBD 2, PSA 93.45, QED 0.42
Compound (SMILES): Cc1cc(OC(c2ccc(C(=O)NCCC(=O)O)cc2)C2CCCC2)cc(C)c1-n1cnc(C(F)(F)F)c1
InChIKey: TWXKVKKUNFLGNW-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 529.56, ALogP 6.02, HBA 5, HBD 2, PSA 93.45, QED 0.35
Compound (SMILES): CCCC(Nc1ccc(-n2cc(-c3ccccc3)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cn1
InChIKey: GCDNKUUGUKGPJA-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 132 nM (pChEMBL 6.880000114440918)
Descriptors: MW 484.56, ALogP 4.49, HBA 7, HBD 3, PSA 122.03, QED 0.29
Compound (SMILES): CCCC(Oc1ccc(-n2cc(-c3ccccc3)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: GOBRXBXKQFYBDM-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 484.56, ALogP 5.06, HBA 6, HBD 2, PSA 106.34, QED 0.31
Compound (SMILES): Cc1cc(OC(c2ccc(C(=O)NCCC(=O)O)cc2)C2CCC2)cc(C)c1-n1cc(C(F)(F)F)cn1
InChIKey: CLTIPYUCTVVDMY-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 5.75 nM (pChEMBL 8.239999771118164)
Descriptors: MW 515.53, ALogP 5.63, HBA 5, HBD 2, PSA 93.45, QED 0.39
Compound (SMILES): CCCC(Oc1ccc(-n2cc3cccc(Cl)c3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: COHUGDGWOGMMGD-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 354 nM (pChEMBL 6.449999809265137)
Descriptors: MW 491.98, ALogP 5.8, HBA 5, HBD 2, PSA 93.45, QED 0.29
Compound (SMILES): CCCC(Oc1ccc(-n2cc3cc(Cl)ccc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: BMCHOKDBMKKHGO-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 62.8 nM (pChEMBL 7.199999809265137)
Descriptors: MW 491.98, ALogP 5.8, HBA 5, HBD 2, PSA 93.45, QED 0.29
Compound (SMILES): CCCC(Oc1cc(C)c(-n2cnc(C(F)(F)F)c2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: GZIUADRPSVKWDX-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 89.5 nM (pChEMBL 7.050000190734863)
Descriptors: MW 503.52, ALogP 5.63, HBA 5, HBD 2, PSA 93.45, QED 0.37
Compound (SMILES): CCCC(Oc1cc(C)c(-n2cc(C3CC3)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: OGIVUXKQGWINIR-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 62.6 nM (pChEMBL 7.199999809265137)
Descriptors: MW 475.59, ALogP 5.49, HBA 5, HBD 2, PSA 93.45, QED 0.38
Compound (SMILES): CCCC(Oc1cc(C)c(-n2cc(C(F)(F)F)nn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: KIUOQZBTDJBMCI-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 504.51, ALogP 5.03, HBA 6, HBD 2, PSA 106.34, QED 0.4
Compound (SMILES): CCCC(Oc1cnc(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: UZLOLFXEOGTMRG-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 446 nM (pChEMBL 6.349999904632568)
Descriptors: MW 490.48, ALogP 4.72, HBA 6, HBD 2, PSA 106.34, QED 0.43
Compound (SMILES): Cc1cc(OC(c2ccc(C(=O)NCCC(=O)O)cc2)C2CC(C)(C)C2)cc(C)c1-n1cc(C(F)(F)F)cn1
InChIKey: FAWURTSYOBLHRC-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 35.2 nM (pChEMBL 7.449999809265137)
Descriptors: MW 543.59, ALogP 6.27, HBA 5, HBD 2, PSA 93.45, QED 0.33
Compound (SMILES): CCCC(Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(OC)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: JHYTUDYDHMAWOJ-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 32.3 nM (pChEMBL 7.489999771118164)
Descriptors: MW 519.52, ALogP 5.33, HBA 6, HBD 2, PSA 102.68, QED 0.35
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C2CC(F)(F)C2)cc1
InChIKey: IUWNKLMWQAVWCM-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 235 nM (pChEMBL 6.630000114440918)
Descriptors: MW 523.46, ALogP 4.69, HBA 6, HBD 3, PSA 109.14, QED 0.35
Compound (SMILES): CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1C)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: JCNREVFYDLKYFA-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 315 nM (pChEMBL 6.5)
Descriptors: MW 489.49, ALogP 5.32, HBA 5, HBD 2, PSA 93.45, QED 0.4
Compound (SMILES): CCCC(Nc1ccc(-n2cc(-c3ccccc3)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: VRQOXMOCYHOPGD-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 483.57, ALogP 5.09, HBA 6, HBD 3, PSA 109.14, QED 0.27
Compound (SMILES): Cc1nn(-c2ccc(NC(c3ccc(C(=O)NCCC(=O)O)cc3)C3CCCC3)cn2)cc1Cl
InChIKey: GJROUYNNBCSKLO-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 65.9 nM (pChEMBL 7.179999828338623)
Descriptors: MW 481.98, ALogP 4.78, HBA 6, HBD 3, PSA 109.14, QED 0.41
Compound (SMILES): CCCC(Nc1ccc(-n2cc(-c3ccccn3)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: VHRAVAIWHJGFEA-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 192 nM (pChEMBL 6.71999979019165)
Descriptors: MW 484.56, ALogP 4.49, HBA 7, HBD 3, PSA 122.03, QED 0.29
Compound (SMILES): CCCC(Nc1ccc(-n2cc(-c3ccccc3)cn2)nc1)c1ccc(C(=O)N(C)CCC(=O)O)cc1
InChIKey: WQGMGMCWPSJJGZ-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 142 nM (pChEMBL 6.849999904632568)
Descriptors: MW 497.6, ALogP 5.43, HBA 6, HBD 2, PSA 100.35, QED 0.29
Compound (SMILES): Cc1cc([C@@H](CC(C)C)Nc2ccc(C(=O)NCCC(=O)O)cn2)cc(C)c1-n1cc(C(F)(F)F)cn1
InChIKey: VCFANZYJCSHEGA-OAQYLSRUSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 27.4 nM (pChEMBL 7.559999942779541)
Descriptors: MW 517.55, ALogP 5.31, HBA 6, HBD 3, PSA 109.14, QED 0.34
Compound (SMILES): Cc1cc([C@H](CC(C)C)Nc2ccc(C(=O)NCCC(=O)O)cn2)cc(C)c1-n1cc(C(F)(F)F)cn1
InChIKey: VCFANZYJCSHEGA-NRFANRHFSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 193 nM (pChEMBL 6.710000038146973)
Descriptors: MW 517.55, ALogP 5.31, HBA 6, HBD 3, PSA 109.14, QED 0.34
Compound (SMILES): Cc1cc(C(Nc2ccc(C(=O)NCCC(=O)O)cn2)C2CCCC2)cc(C)c1-n1cc(C(F)(F)F)cn1
InChIKey: CCMSZNRJWBLATB-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 224 nM (pChEMBL 6.650000095367432)
Descriptors: MW 529.56, ALogP 5.45, HBA 6, HBD 3, PSA 109.14, QED 0.34
Compound (SMILES): CCCC(Nc1ccc(-n2cc(C3CC3)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: IFNFTVDAMAIFRB-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 101 nM (pChEMBL 7)
Descriptors: MW 447.54, ALogP 4.3, HBA 6, HBD 3, PSA 109.14, QED 0.4
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCOCC2)cc1
InChIKey: AKWOLMJYDLJTNB-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 432 nM (pChEMBL 6.369999885559082)
Descriptors: MW 517.51, ALogP 4.07, HBA 7, HBD 3, PSA 118.37, QED 0.39
Compound (SMILES): CC(C)(C)C(Nc1ccc(-n2cnc(C(F)(F)F)c2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: OKRPHSFKGLEHDY-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 87.2 nM (pChEMBL 7.059999942779541)
Descriptors: MW 489.5, ALogP 4.69, HBA 6, HBD 3, PSA 109.14, QED 0.42
Compound (SMILES): CCCC(Oc1cc(F)c(-n2cc(C(F)(F)F)cn2)c(F)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: HCKMWNXUSMZSQY-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 511.45, ALogP 5.29, HBA 5, HBD 2, PSA 93.45, QED 0.36
Compound (SMILES): CCCC(Oc1ccc(-n2cc3cc(F)ccc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: KRFLFNAABITUDC-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 137 nM (pChEMBL 6.860000133514404)
Descriptors: MW 475.52, ALogP 5.29, HBA 5, HBD 2, PSA 93.45, QED 0.33
Compound (SMILES): CCCC(Oc1ccc(-n2cc3ccc(F)cc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: HUVABPWDGQZKLF-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 175 nM (pChEMBL 6.760000228881836)
Descriptors: MW 475.52, ALogP 5.29, HBA 5, HBD 2, PSA 93.45, QED 0.33
Compound (SMILES): CCCC(Oc1cc(C)c(-n2cc3ccccc3n2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: QCOPOVBWEJSWFQ-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 109 nM (pChEMBL 6.960000038146973)
Descriptors: MW 485.58, ALogP 5.77, HBA 5, HBD 2, PSA 93.45, QED 0.3
Compound (SMILES): CC1(C)CC(C(Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1
InChIKey: MYZIDYJMNWEJMC-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 42.2 nM (pChEMBL 7.380000114440918)
Descriptors: MW 515.54, ALogP 5.08, HBA 6, HBD 3, PSA 109.14, QED 0.37