lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cc(Nc2ccnc(NCc3cc(C(N)=O)no3)n2)n[nH]1
InChIKey: KOEAXAVGCYUVNR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 314.31, ALogP 0.95, HBA 8, HBD 4, PSA 147.64, QED 0.53
Compound (SMILES): Cc1cc(CNc2nccc(Nc3cc(CO)[nH]n3)n2)on1
InChIKey: QBUIUFWFHZYWJJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 301.31, ALogP 1.34, HBA 8, HBD 4, PSA 124.78, QED 0.54
Compound (SMILES): CCc1cc(Nc2nc(NCc3ccccn3)ncc2Br)n[nH]1
InChIKey: CNWJZVFJMFMGFH-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 374.25, ALogP 3.28, HBA 6, HBD 3, PSA 91.41, QED 0.61
Compound (SMILES): CCc1cc(Nc2nc(NCc3cc(-c4ccccn4)no3)ncc2Br)n[nH]1
InChIKey: OCTJJTONFVZCDV-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 441.29, ALogP 3.93, HBA 8, HBD 3, PSA 117.44, QED 0.4
Compound (SMILES): CCCc1cc(Nc2nc(NCc3cccnc3)ncc2Br)n[nH]1
InChIKey: NJQNOQPUEHWZEG-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 388.27, ALogP 3.67, HBA 6, HBD 3, PSA 91.41, QED 0.57
Compound (SMILES): N#Cc1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIKey: DBHPWAUUHYNUMT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 318.68, ALogP 3.77, HBA 6, HBD 1, PSA 122.1, QED 0.68
Compound (SMILES): N#Cc1ccc(Oc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIKey: YECHOSRSUGXSNF-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 319.66, ALogP 3.82, HBA 6, HBD 0, PSA 119.3, QED 0.62
Compound (SMILES): COc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIKey: IPZJMCGPCSSZJS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 280.67, ALogP 3.44, HBA 5, HBD 0, PSA 74.49, QED 0.49
Compound (SMILES): CCc1cc2c(cc1CC)CC(NCC(O)c1c(C)cc(O)c3[nH]c(=O)ccc13)C2
InChIKey: IAYCRMOPCKGMOQ-UHFFFAOYSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 406.53, ALogP 3.46, HBA 4, HBD 4, PSA 85.35, QED 0.51
Compound (SMILES): CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2
InChIKey: LNWINKMRDGCDER-UHFFFAOYSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki = 227 nM (pChEMBL 6.639999866485596)
Descriptors: MW 406.53, ALogP 3.46, HBA 4, HBD 4, PSA 85.35, QED 0.51
Compound (SMILES): CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2
InChIKey: CEVVMMPBOCCERE-QFIPXVFZSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki = 183 nM (pChEMBL 6.739999771118164)
Descriptors: MW 394.52, ALogP 3.19, HBA 4, HBD 4, PSA 81.59, QED 0.57
Compound (SMILES): CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2
InChIKey: ZQWNZUAMWNPQGR-UHFFFAOYSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki = 478 nM (pChEMBL 6.320000171661377)
Descriptors: MW 376.5, ALogP 3.66, HBA 3, HBD 3, PSA 65.12, QED 0.62
Compound (SMILES): CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIKey: XMDAQMWILNVNIT-YSYXNDDBSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki = 259 nM (pChEMBL 6.590000152587891)
Descriptors: MW 392.5, ALogP 3.37, HBA 4, HBD 4, PSA 85.35, QED 0.5
Compound (SMILES): Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIKey: MXMBWPWORLTOSF-QFIPXVFZSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki = 421 nM (pChEMBL 6.380000114440918)
Descriptors: MW 392.5, ALogP 3.26, HBA 4, HBD 4, PSA 85.35, QED 0.55
Compound (SMILES): CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIKey: SXHDWOIPFGGJDK-QFIPXVFZSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 406.53, ALogP 3.54, HBA 4, HBD 4, PSA 85.35, QED 0.5
Compound (SMILES): CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChIKey: DRKGNLYJPTXVHV-QFIPXVFZSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08588
Assay: Binding affinity to human beta1-adrenoceptor by radioligand binding assay
Measurement: Ki = 133 nM (pChEMBL 6.880000114440918)
Descriptors: MW 394.52, ALogP 4.23, HBA 4, HBD 4, PSA 85.35, QED 0.55
Compound (SMILES): CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1
InChIKey: MGFMKXDGFJBKMH-JQVVWYNYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 550.65, ALogP 4.59, HBA 5, HBD 2, PSA 95.16, QED 0.43
Compound (SMILES): CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1
InChIKey: PNNURZBAOYBVQO-KPLVRAHFSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
Measurement: IC50 = 5.7 nM (pChEMBL 8.239999771118164)
Descriptors: MW 629.54, ALogP 5.35, HBA 5, HBD 2, PSA 95.16, QED 0.35
Compound (SMILES): Cc1cccc(-c2nc(NCc3cc(Cl)cc(Cl)c3)sc2-c2ccc3ncnn3c2)n1
InChIKey: IQOTVGHBBHOBKR-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 15.1 nM (pChEMBL 7.820000171661377)
Descriptors: MW 467.39, ALogP 6.14, HBA 7, HBD 1, PSA 68, QED 0.34
Compound (SMILES): Cc1cccc(-c2nc(NCc3cccc(C)c3C)sc2-c2ccc3ncnn3c2)n1
InChIKey: VMAJWCRBVRIZQR-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 22.1 nM (pChEMBL 7.659999847412109)
Descriptors: MW 426.55, ALogP 5.45, HBA 7, HBD 1, PSA 68, QED 0.4
Compound (SMILES): Cc1cc(C)cc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1
InChIKey: IXHWEVQIYXKCCA-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 426.55, ALogP 5.45, HBA 7, HBD 1, PSA 68, QED 0.4
Compound (SMILES): COc1cccc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1OC
InChIKey: VVEMGKLSOKWLEB-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 43.5 nM (pChEMBL 7.360000133514404)
Descriptors: MW 458.55, ALogP 4.85, HBA 9, HBD 1, PSA 86.46, QED 0.37
Compound (SMILES): COc1ccc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)cc1OC
InChIKey: NPKLXIBDXVXQBM-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 47.7 nM (pChEMBL 7.320000171661377)
Descriptors: MW 458.55, ALogP 4.85, HBA 9, HBD 1, PSA 86.46, QED 0.37
Compound (SMILES): COc1cc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)cc(OC)c1
InChIKey: ZMUWOLHXXFLWAH-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 16.5 nM (pChEMBL 7.78000020980835)
Descriptors: MW 458.55, ALogP 4.85, HBA 9, HBD 1, PSA 86.46, QED 0.37
Compound (SMILES): Cc1cccc(-c2nc(NCc3cccc(C(N)=O)c3)sc2-c2ccc3ncnn3c2)n1
InChIKey: RWKUOBJGDXCOKM-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 13.6 nM (pChEMBL 7.869999885559082)
Descriptors: MW 441.52, ALogP 3.93, HBA 8, HBD 2, PSA 111.09, QED 0.41
Compound (SMILES): Cc1cccc(-c2nc(NCc3ccc(C(N)=O)cc3)sc2-c2ccc3ncnn3c2)n1
InChIKey: UNKRRNQGTJWRNM-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 25.7 nM (pChEMBL 7.590000152587891)
Descriptors: MW 441.52, ALogP 3.93, HBA 8, HBD 2, PSA 111.09, QED 0.41
Compound (SMILES): Cc1cccc(-c2sc(NCc3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIKey: NWKVJLWADKJMIM-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 24.5 nM (pChEMBL 7.610000133514404)
Descriptors: MW 398.5, ALogP 4.84, HBA 7, HBD 1, PSA 68, QED 0.46
Compound (SMILES): Cc1cccc(-c2sc(NCc3cccc(C#N)c3)nc2-c2ccc3ncnn3c2)n1
InChIKey: YVNIRHOSELPYAW-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 25.1 nM (pChEMBL 7.599999904632568)
Descriptors: MW 423.51, ALogP 4.71, HBA 8, HBD 1, PSA 91.79, QED 0.44
Compound (SMILES): Cc1cccc(-c2sc(NCc3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)n1
InChIKey: HIFGZZBMONHQCC-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 441.52, ALogP 3.93, HBA 8, HBD 2, PSA 111.09, QED 0.41
Compound (SMILES): Cc1cccc(-c2sc(NCc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIKey: REHNTCRUPYALSU-UHFFFAOYSA-N
Target: TGF-beta receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36897
Assay: Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
Measurement: IC50 = 21.2 nM (pChEMBL 7.670000076293945)
Descriptors: MW 416.49, ALogP 4.97, HBA 7, HBD 1, PSA 68, QED 0.44
Compound (SMILES): COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/OCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChIKey: FAZAYQVTJIKDEM-IQSUIFCESA-N
Target: Gonadotropin-releasing hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30968
Assay: Displacement of [125I][D-Trp6]GnRH1 from GnRH receptor expressed in human pituitary membrane by gamma counting
Measurement: IC50 = 1.62 nM (pChEMBL 8.789999961853027)
Descriptors: MW 1836
Compound (SMILES): CC(C)c1cc(Nc2nc(NCc3cccnc3)ncc2Br)n[nH]1
InChIKey: JNSMYVIVQDWCFM-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 388.27, ALogP 3.84, HBA 6, HBD 3, PSA 91.41, QED 0.59
Compound (SMILES): COCCCc1cc(Nc2ccnc(NCc3cc(C4CC4)no3)n2)n[nH]1
InChIKey: WSNDHEGGDQJEPA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 369.43, ALogP 3, HBA 8, HBD 3, PSA 113.78, QED 0.47
Compound (SMILES): COCCCc1cc(Nc2ccnc(NCc3cc(C(N)=O)no3)n2)n[nH]1
InChIKey: ALJUSBALYODRPB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 372.39, ALogP 1.22, HBA 9, HBD 4, PSA 156.87, QED 0.38
Compound (SMILES): COc1cc(CCc2cc(Nc3ccnc(NCc4ccccn4)n3)n[nH]2)cc(OC)c1
InChIKey: OGJAKSRIKBDGTD-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 431.5, ALogP 3.75, HBA 8, HBD 3, PSA 109.87, QED 0.35
Compound (SMILES): COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)on4)n3)n[nH]2)cc(OC)c1
InChIKey: XXRQVZDYLNBSMD-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 435.49, ALogP 3.65, HBA 9, HBD 3, PSA 123.01, QED 0.34
Compound (SMILES): Cc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C
InChIKey: GBERRIHAQVAYBH-XDHOZWIPSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of MAO-B (unknown origin) using as tyramine as substrate by Ampliflu red reagent based fluorometric method
Measurement: IC50 = 114 nM (pChEMBL 6.940000057220459)
Descriptors: MW 307.35, ALogP 2.94, HBA 5, HBD 1, PSA 59.52, QED 0.76
Compound (SMILES): Cn1c(=O)c2c(nc(COc3ccccc3)n2C)n(C)c1=O
InChIKey: ZMYAPXMDMKEKHX-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P25099
Assay: Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane in presence of GTP by GTP shift assay
Measurement: Ki = 4010 nM (pChEMBL 5.400000095367432)
Descriptors: MW 300.32, ALogP 0.55, HBA 7, HBD 0, PSA 71.05, QED 0.71
Compound (SMILES): Cn1c(=O)c2c(nc(COc3cccc(Br)c3)n2C)n(C)c1=O
InChIKey: HERBMOIYZSSPJE-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish peroxidase-coupled assay
Measurement: IC50 = 148 nM (pChEMBL 6.829999923706055)
Descriptors: MW 379.21, ALogP 1.31, HBA 7, HBD 0, PSA 71.05, QED 0.69
Compound (SMILES): Cn1c(=O)c2c(nc(COc3cccc(F)c3)n2C)n(C)c1=O
InChIKey: ZVEAXKRWYOFYHK-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish peroxidase-coupled assay
Measurement: IC50 = 1610 nM (pChEMBL 5.789999961853027)
Descriptors: MW 318.31, ALogP 0.69, HBA 7, HBD 0, PSA 71.05, QED 0.71
Compound (SMILES): Cn1c(=O)c2c(nc(COc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O
InChIKey: UCLXUGXHXULTIZ-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish peroxidase-coupled assay
Measurement: IC50 = 641 nM (pChEMBL 6.190000057220459)
Descriptors: MW 368.31, ALogP 1.57, HBA 7, HBD 0, PSA 71.05, QED 0.7
Compound (SMILES): Cc1cccc(OCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1
InChIKey: KJEMCSSOYMYLRT-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish peroxidase-coupled assay
Measurement: IC50 = 18800 nM (pChEMBL 4.730000019073486)
Descriptors: MW 314.35, ALogP 0.86, HBA 7, HBD 0, PSA 71.05, QED 0.72
Compound (SMILES): Cn1c(=O)c2c(nc(COc3ccc(Cl)cc3)n2C)n(C)c1=O
InChIKey: OTUXALWAARIWGY-UHFFFAOYSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Rattus norvegicus
UniProt: P30543
Assay: Displacement of [3H]NECA from adenosine receptor A2a in rat striatial membrane
Measurement: Ki = 1330 nM (pChEMBL 5.880000114440918)
Descriptors: MW 334.76, ALogP 1.2, HBA 7, HBD 0, PSA 71.05, QED 0.72
Compound (SMILES): Cn1c(=O)c2c(nc(COc3ccc(Br)cc3)n2C)n(C)c1=O
InChIKey: DQHYNJVVLXUJOC-UHFFFAOYSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Rattus norvegicus
UniProt: P30543
Assay: Displacement of [3H]NECA from adenosine receptor A2A in Sprague-Dawley rat striatal membranes after 60 mins by liquid scintillation counting
Measurement: Ki = 1730 nM (pChEMBL 5.760000228881836)
Descriptors: MW 379.21, ALogP 1.31, HBA 7, HBD 0, PSA 71.05, QED 0.69
Compound (SMILES): Cn1c(=O)c2c(nc(COc3ccc(F)cc3)n2C)n(C)c1=O
InChIKey: XKYBJTZRSMYEDZ-UHFFFAOYSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Rattus norvegicus
UniProt: P30543
Assay: Displacement of [3H]NECA from adenosine receptor A2A in Sprague-Dawley rat striatal membranes after 60 mins by liquid scintillation counting
Measurement: Ki = 2570 nM (pChEMBL 5.590000152587891)
Descriptors: MW 318.31, ALogP 0.69, HBA 7, HBD 0, PSA 71.05, QED 0.71
Compound (SMILES): Cn1c(=O)c2c(nc(CSc3ccccc3)n2C)n(C)c1=O
InChIKey: YVPZIZHNADXQNO-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P25099
Assay: Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane
Measurement: Ki = 4850 nM (pChEMBL 5.309999942779541)
Descriptors: MW 316.39, ALogP 1.26, HBA 7, HBD 0, PSA 61.82, QED 0.68
Compound (SMILES): Cn1c(=O)c2c(nc(CSc3cccc(Cl)c3)n2C)n(C)c1=O
InChIKey: BVEMZOOYABZZGY-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
Measurement: IC50 = 6120 nM (pChEMBL 5.210000038146973)
Descriptors: MW 350.83, ALogP 1.92, HBA 7, HBD 0, PSA 61.82, QED 0.68
Compound (SMILES): Cn1c(=O)c2c(nc(CSc3cccc(Br)c3)n2C)n(C)c1=O
InChIKey: IDHVADDUKGCQIO-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
Measurement: IC50 = 4900 nM (pChEMBL 5.309999942779541)
Descriptors: MW 395.28, ALogP 2.03, HBA 7, HBD 0, PSA 61.82, QED 0.64
Compound (SMILES): Cn1c(=O)c2c(nc(CSc3cccc(F)c3)n2C)n(C)c1=O
InChIKey: JRHPTDCNHORYQN-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
Measurement: IC50 = 22300 nM (pChEMBL 4.650000095367432)
Descriptors: MW 334.38, ALogP 1.4, HBA 7, HBD 0, PSA 61.82, QED 0.68
Compound (SMILES): Cc1cccc(SCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1
InChIKey: OTDZRVZPFXJXGT-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
Measurement: IC50 = 17900 nM (pChEMBL 4.75)
Descriptors: MW 330.41, ALogP 1.57, HBA 7, HBD 0, PSA 61.82, QED 0.68
Compound (SMILES): COc1cccc(SCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1
InChIKey: RERGNMHDYBKPFW-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
Measurement: IC50 = 8420 nM (pChEMBL 5.079999923706055)
Descriptors: MW 346.41, ALogP 1.27, HBA 8, HBD 0, PSA 71.05, QED 0.67
Compound (SMILES): CCOc1cccc(SCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1
InChIKey: LOQGOZKKPBGUFP-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
Measurement: IC50 = 18400 nM (pChEMBL 4.739999771118164)
Descriptors: MW 360.44, ALogP 1.66, HBA 8, HBD 0, PSA 71.05, QED 0.65
Compound (SMILES): Cn1c(=O)c2c(nc(CSc3ccc(Cl)cc3)n2C)n(C)c1=O
InChIKey: UMARSZKDTRUYJD-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P25099
Assay: Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane
Measurement: Ki = 20840 nM (pChEMBL 4.679999828338623)
Descriptors: MW 350.83, ALogP 1.92, HBA 7, HBD 0, PSA 61.82, QED 0.68
Compound (SMILES): Cn1c(=O)c2c(nc(CSc3ccc(Br)cc3)n2C)n(C)c1=O
InChIKey: HSOWNUHKXAAJKJ-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
Measurement: IC50 = 4050 nM (pChEMBL 5.389999866485596)
Descriptors: MW 395.28, ALogP 2.03, HBA 7, HBD 0, PSA 61.82, QED 0.64
Compound (SMILES): O=P(O)(O)C(Nc1cncc(-c2ccc(OC3CC3)cc2)c1)P(=O)(O)O
InChIKey: QCLQOQRSHDMFKS-UHFFFAOYSA-N
Target: Farnesyl pyrophosphate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P14324
Assay: Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scintillation counting analysis
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 400.26, ALogP 2.34, HBA 5, HBD 5, PSA 149.21, QED 0.44
Compound (SMILES): COc1ccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)cc1
InChIKey: RYVBWMKTLYIKQI-UHFFFAOYSA-N
Target: Translocator protein (SINGLE PROTEIN), Homo sapiens
UniProt: P30536
Assay: Binding affinity to TSPO (unknown origin) relative to control
Measurement: Ki = 0.28 nM (pChEMBL 9.550000190734863)
Descriptors: MW 388.42, ALogP 3.93, HBA 5, HBD 0, PSA 64.68, QED 0.52
Compound (SMILES): Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1
InChIKey: CSFRYMFRLSXEFS-MZKRTTBSSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 564.67, ALogP 4.9, HBA 5, HBD 2, PSA 95.16, QED 0.41
Compound (SMILES): CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1
InChIKey: WYIDDZWJJNBWTK-IMSXRSKXSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
Measurement: IC50 = 8.3 nM (pChEMBL 8.079999923706055)
Descriptors: MW 578.7, ALogP 5.15, HBA 5, HBD 2, PSA 95.16, QED 0.37
Compound (SMILES): CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1
InChIKey: ZUMFLMDNBASWLS-MZKRTTBSSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
Measurement: IC50 = 4.8 nM (pChEMBL 8.319999694824219)
Descriptors: MW 575.66, ALogP 4.46, HBA 6, HBD 2, PSA 118.95, QED 0.41
Compound (SMILES): CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1
InChIKey: HGGQOKYQEVUFKC-AHJOLFANSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
Measurement: IC50 = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 576.69, ALogP 5.25, HBA 5, HBD 1, PSA 86.37, QED 0.42
Compound (SMILES): CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1
InChIKey: PWPZLEJFRYZEQC-GHLWETIGSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
Measurement: IC50 = 13.3 nM (pChEMBL 7.880000114440918)
Descriptors: MW 590.71, ALogP 5.64, HBA 5, HBD 1, PSA 86.37, QED 0.37
Compound (SMILES): Fc1cccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1
InChIKey: GZATWFXSLUADDR-RWPZCVJISA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3K-alpha kinase (unknown origin) using ULight-4E-BP1 as substrate after 60 mins by luminescence assay
Measurement: IC50 = 2350 nM (pChEMBL 5.630000114440918)
Descriptors: MW 486.58, ALogP 5.12, HBA 8, HBD 1, PSA 67.57, QED 0.27
Compound (SMILES): CCCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CO/N=C(\C)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
InChIKey: FGJFAEFCHMUUOU-XLCPJGBQSA-N
Target: Gonadotropin-releasing hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30968
Assay: Displacement of [125I][D-Trp6]GnRH1 from GnRH receptor expressed in human pituitary membrane by gamma counting
Measurement: IC50 = 9.03 nM (pChEMBL 8.039999961853027)
Descriptors: MW 1953.1
Compound (SMILES): C=Cc1ccc(C(=O)NC2CC2)cc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12
InChIKey: QULUIOJPUAFNFV-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 459.45, ALogP 4.97, HBA 5, HBD 1, PSA 72.7, QED 0.44
Compound (SMILES): CCCNC(=O)c1ccc(CC)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1
InChIKey: QLOKOUOGVWMVKM-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 463.48, ALogP 5.13, HBA 5, HBD 1, PSA 72.7, QED 0.41
Compound (SMILES): CCc1ccc(C(=O)NC2CC2)cc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12
InChIKey: SYWLGWLWZBTPJL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 461.47, ALogP 4.89, HBA 5, HBD 1, PSA 72.7, QED 0.44
Compound (SMILES): C=Cc1ccc(C(=O)OC)cc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12
InChIKey: RBYNQDHNKOAONN-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 434.4, ALogP 4.86, HBA 6, HBD 0, PSA 69.9, QED 0.42
Compound (SMILES): C=Cc1ccc(C(=O)NCCC)cc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12
InChIKey: VXUOIUMRQLTQKG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 53.5 nM (pChEMBL 7.269999980926514)
Descriptors: MW 461.47, ALogP 5.21, HBA 5, HBD 1, PSA 72.7, QED 0.41
Compound (SMILES): O=C(NC1CC1)c1ccc(F)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1
InChIKey: DWZBTFKKHUMSMQ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 451.4, ALogP 4.46, HBA 5, HBD 1, PSA 72.7, QED 0.49
Compound (SMILES): O=C(c1ccc(F)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1)N1CCCC1
InChIKey: JAHVLSUIOLCZNU-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 465.43, ALogP 4.81, HBA 5, HBD 0, PSA 63.91, QED 0.43
Compound (SMILES): COC(=O)c1ccc(F)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1
InChIKey: ZRMBLVBRQMUGLR-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 426.35, ALogP 4.36, HBA 6, HBD 0, PSA 69.9, QED 0.45
Compound (SMILES): Cc1nnc(-c2ccc(F)c(-c3c(=O)ccn4nc(Oc5ccc(F)cc5F)ccc34)c2)o1
InChIKey: DETXIBPEKYETMZ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 450.38, ALogP 4.93, HBA 7, HBD 0, PSA 82.52, QED 0.39
Compound (SMILES): CCCNC(=O)c1ccc(F)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1
InChIKey: CAABEMBPTVKPLJ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 453.42, ALogP 4.71, HBA 5, HBD 1, PSA 72.7, QED 0.46
Compound (SMILES): O=c1ccn2nc(Oc3ccc(F)cc3F)ccc2c1-c1ccccc1F
InChIKey: SWPXGFWJBPCQJS-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 368.31, ALogP 4.57, HBA 4, HBD 0, PSA 43.6, QED 0.53
Compound (SMILES): O=c1ccn2nc(Oc3ccc(F)cc3F)ccc2c1-c1c(F)cccc1F
InChIKey: SOVZJLPDHNBNIT-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 86 nM (pChEMBL 7.070000171661377)
Descriptors: MW 386.3, ALogP 4.71, HBA 4, HBD 0, PSA 43.6, QED 0.48
Compound (SMILES): COc1ccccc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12
InChIKey: VDHLUDCDWACJEC-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 380.35, ALogP 4.44, HBA 5, HBD 0, PSA 52.83, QED 0.53
Compound (SMILES): COC(=O)c1ccc(OC)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1
InChIKey: TWNBTPCBVWGARD-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 9.3 nM (pChEMBL 8.029999732971191)
Descriptors: MW 438.39, ALogP 4.23, HBA 7, HBD 0, PSA 79.13, QED 0.43
Compound (SMILES): CCCNC(=O)c1ccc(OC)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1
InChIKey: ITFVSHNXSJUPPJ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 465.46, ALogP 4.58, HBA 6, HBD 1, PSA 81.93, QED 0.43
Compound (SMILES): COc1ccc(C(=O)NC2CC2)cc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12
InChIKey: FJLNLQWFMTXPFQ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 463.44, ALogP 4.33, HBA 6, HBD 1, PSA 81.93, QED 0.46
Compound (SMILES): COc1ccc(-c2nnc(C)o2)cc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12
InChIKey: ZJSKOMQNYBBXFV-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Mus musculus
UniProt: Q9WUI1
Assay: Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 462.41, ALogP 4.8, HBA 8, HBD 0, PSA 91.75, QED 0.37
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccccc4)c3)ccc21
InChIKey: UCYGFPQTDUATIX-BMRADRMJSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 14010 nM (pChEMBL 4.849999904632568)
Descriptors: MW 430.51, ALogP 6.48, HBA 3, HBD 1, PSA 51.1, QED 0.26
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccccc4Cl)c3)ccc21
InChIKey: QOONPFGCOLWOAI-JQIJEIRASA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 464.95, ALogP 7.13, HBA 3, HBD 1, PSA 51.1, QED 0.22
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3)ccc21
InChIKey: GLGDYSAUMZBZES-FYWRMAATSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 48130 nM (pChEMBL 4.320000171661377)
Descriptors: MW 464.95, ALogP 7.13, HBA 3, HBD 1, PSA 51.1, QED 0.22
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc21
InChIKey: GKUXKGWAMJPLHX-MHWRWJLKSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 17520 nM (pChEMBL 4.760000228881836)
Descriptors: MW 464.95, ALogP 7.13, HBA 3, HBD 1, PSA 51.1, QED 0.22
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccccc4F)c3)ccc21
InChIKey: MTDWRXQEXJHLOT-JQIJEIRASA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 18250 nM (pChEMBL 4.739999771118164)
Descriptors: MW 448.5, ALogP 6.62, HBA 3, HBD 1, PSA 51.1, QED 0.24
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)ccc21
InChIKey: PZCHRFNIISVJGO-FYWRMAATSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 35160 nM (pChEMBL 4.449999809265137)
Descriptors: MW 448.5, ALogP 6.62, HBA 3, HBD 1, PSA 51.1, QED 0.24
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc21
InChIKey: SIFCEWXBXAZVND-MHWRWJLKSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 15060 nM (pChEMBL 4.820000171661377)
Descriptors: MW 448.5, ALogP 6.62, HBA 3, HBD 1, PSA 51.1, QED 0.24
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)ccc21
InChIKey: XVCNLSABISKSRU-FYWRMAATSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 509.4, ALogP 7.24, HBA 3, HBD 1, PSA 51.1, QED 0.2
Compound (SMILES): Cc1ccccc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)c1
InChIKey: ASIMAKQUQPLQFA-BMRADRMJSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 444.53, ALogP 6.79, HBA 3, HBD 1, PSA 51.1, QED 0.24
Compound (SMILES): Cc1cccc(C(=O)Nc2cccc(C(=O)/C=C/c3ccc4c(c3)c3ccccc3n4C)c2)c1
InChIKey: OJRFYJLEFSJHPU-JQIJEIRASA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 35160 nM (pChEMBL 4.449999809265137)
Descriptors: MW 444.53, ALogP 6.79, HBA 3, HBD 1, PSA 51.1, QED 0.24
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(=O)/C=C/c3ccc4c(c3)c3ccccc3n4C)c2)cc1
InChIKey: SFUCEKBBLZIREF-GHRIWEEISA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 15150 nM (pChEMBL 4.820000171661377)
Descriptors: MW 444.53, ALogP 6.79, HBA 3, HBD 1, PSA 51.1, QED 0.24
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)ccc21
InChIKey: RRNZZWYZTGNVTH-CPNJWEJPSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 486.62, ALogP 7.78, HBA 3, HBD 1, PSA 51.1, QED 0.2
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc21
InChIKey: WJQJDVYBDSWCTL-FYWRMAATSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 65160 nM (pChEMBL 4.190000057220459)
Descriptors: MW 498.5, ALogP 7.5, HBA 3, HBD 1, PSA 51.1, QED 0.2
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccco4)c3)ccc21
InChIKey: SROGQQCUQQWBCV-WYMLVPIESA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 46530 nM (pChEMBL 4.329999923706055)
Descriptors: MW 420.47, ALogP 6.07, HBA 4, HBD 1, PSA 64.24, QED 0.28
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4cccs4)c3)ccc21
InChIKey: MNJKCTUNRQSSKW-WYMLVPIESA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 62390 nM (pChEMBL 4.210000038146973)
Descriptors: MW 436.54, ALogP 6.54, HBA 4, HBD 1, PSA 51.1, QED 0.25
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)/C=C/c4ccccc4)c3)ccc21
InChIKey: FLQOLAXHXPYXHL-GTLAIDDRSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 85150 nM (pChEMBL 4.070000171661377)
Descriptors: MW 456.55, ALogP 6.88, HBA 3, HBD 1, PSA 51.1, QED 0.22
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)C4CC4)c3)ccc21
InChIKey: SQGNWPWTSKHMHD-GXDHUFHOSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 80230 nM (pChEMBL 4.099999904632568)
Descriptors: MW 394.47, ALogP 5.58, HBA 3, HBD 1, PSA 51.1, QED 0.36
Compound (SMILES): CC(=O)Nc1cccc(C(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)c1
InChIKey: PDNLVKADWRWGEK-ACCUITESSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 80150 nM (pChEMBL 4.099999904632568)
Descriptors: MW 368.44, ALogP 5.19, HBA 3, HBD 1, PSA 51.1, QED 0.4
Compound (SMILES): Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(N)c3)ccc21
InChIKey: SNWRBEUXVYBKQY-ZRDIBKRKSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
Measurement: IC50 = 48150 nM (pChEMBL 4.320000171661377)
Descriptors: MW 326.4, ALogP 4.81, HBA 3, HBD 1, PSA 48.02, QED 0.33
Compound (SMILES): Cc1n[nH]c(=O)c2[nH]c3ccc(F)cc3c12
InChIKey: BNKGKDIILOTIBH-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 217.2, ALogP 1.85, HBA 2, HBD 2, PSA 61.54, QED 0.6
Compound (SMILES): COc1ccc2[nH]c3c(=O)[nH]nc(C)c3c2c1
InChIKey: RWDXNDKTKLMVTA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 229.24, ALogP 1.72, HBA 3, HBD 2, PSA 70.77, QED 0.67
Compound (SMILES): Cc1n[nH]c(=O)c2c1c1cc(Br)ccc1n2Cc1ccc([N+](=O)[O-])cc1
InChIKey: VYXSEDGNHNNIIJ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 413.23, ALogP 3.91, HBA 5, HBD 1, PSA 93.82, QED 0.41
Compound (SMILES): Cc1n[nH]c(=O)c2c1c1cc(Br)ccc1n2Cc1cccc([N+](=O)[O-])c1
InChIKey: XZNVQNCTBPDYRL-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 413.23, ALogP 3.91, HBA 5, HBD 1, PSA 93.82, QED 0.41
Compound (SMILES): Cc1n[nH]c(=O)c2c1c1cc(Br)ccc1n2Cc1ccc(C#N)cc1
InChIKey: VAJPJHIORYFVGN-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 393.24, ALogP 3.87, HBA 4, HBD 1, PSA 74.47, QED 0.56
Compound (SMILES): Cc1n[nH]c(=O)c2c1c1cc(Br)ccc1n2Cc1cccc(C#N)c1
InChIKey: MYWRGXOBTFOZAT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 393.24, ALogP 3.87, HBA 4, HBD 1, PSA 74.47, QED 0.56
Compound (SMILES): COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c32)cc1
InChIKey: RLMVBDOMJXQMEV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 398.26, ALogP 4.01, HBA 4, HBD 1, PSA 59.91, QED 0.57
Compound (SMILES): COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c32)c1
InChIKey: XAXTZRLEMGBGGK-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 398.26, ALogP 4.01, HBA 4, HBD 1, PSA 59.91, QED 0.57
Compound (SMILES): Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1ccc([N+](=O)[O-])cc1
InChIKey: NEIJDFSLEGHMLA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 352.33, ALogP 3.28, HBA 5, HBD 1, PSA 93.82, QED 0.45
Compound (SMILES): Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1cccc([N+](=O)[O-])c1
InChIKey: POHCLFYDPUBOFX-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 352.33, ALogP 3.28, HBA 5, HBD 1, PSA 93.82, QED 0.45
Compound (SMILES): Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1ccc(C#N)cc1
InChIKey: JRAGSJGRESNZLQ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 332.34, ALogP 3.25, HBA 4, HBD 1, PSA 74.47, QED 0.61