lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(OC(C)C)c3)C2)cc1
InChIKey: NXXVKLPIESIDQJ-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2060 nM (pChEMBL 5.690000057220459)
Descriptors: MW 369.47, ALogP 3.33, HBA 5, HBD 1, PSA 63.69, QED 0.81
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(Oc4ccccc4)c3)C2)cc1
InChIKey: WPXFMTRPDAUPIJ-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 4100 nM (pChEMBL 5.389999866485596)
Descriptors: MW 403.48, ALogP 4.34, HBA 5, HBD 1, PSA 63.69, QED 0.64
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(Oc4cncnc4)c3)C2)cc1
InChIKey: BQECDCRIYNXWPX-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 10630 nM (pChEMBL 4.96999979019165)
Descriptors: MW 405.46, ALogP 3.13, HBA 7, HBD 1, PSA 89.47, QED 0.65
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)cc1
InChIKey: OHGITAVUYNFLDT-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 380.49, ALogP 3.94, HBA 4, HBD 1, PSA 50.8, QED 0.75
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)cc1OCC
InChIKey: CCRWLPHGIXSQBL-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2550 nM (pChEMBL 5.590000152587891)
Descriptors: MW 424.54, ALogP 4.34, HBA 5, HBD 1, PSA 60.03, QED 0.61
Compound (SMILES): CCCOc1ccnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1
InChIKey: MISYKQJPSHLGSB-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 4500 nM (pChEMBL 5.349999904632568)
Descriptors: MW 369.47, ALogP 3.34, HBA 5, HBD 1, PSA 63.69, QED 0.77
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1
InChIKey: CBKNHQRILNEGAA-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 391.27, ALogP 2.7, HBA 5, HBD 1, PSA 67.35, QED 0.85
Compound (SMILES): COc1cnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1
InChIKey: HSQZWEXYPLIAGO-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1120 nM (pChEMBL 5.949999809265137)
Descriptors: MW 342.4, ALogP 1.95, HBA 6, HBD 1, PSA 76.58, QED 0.86
Compound (SMILES): CCCc1cnc(N2CC(Oc3ccc(C(C)NC(C)=O)cc3)C2)nc1
InChIKey: QYCRPOXJBLWIBK-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 354.45, ALogP 2.89, HBA 5, HBD 1, PSA 67.35, QED 0.83
Compound (SMILES): COc1ccc(-c2cnc(N3CC(Oc4ccc(C(C)NC(C)=O)cc4)C3)nc2)cc1
InChIKey: ZOUGMCSVOGSTCX-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1470 nM (pChEMBL 5.829999923706055)
Descriptors: MW 418.5, ALogP 3.62, HBA 6, HBD 1, PSA 76.58, QED 0.63
Compound (SMILES): C[C@H](NC(=O)C1CC1)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: ISXVDVFWJWHLBC-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 378.48, ALogP 3.21, HBA 5, HBD 1, PSA 67.35, QED 0.8
Compound (SMILES): C[C@H](NC(=O)C1CC1)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1
InChIKey: REHXDDXXRDVOGS-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3880 nM (pChEMBL 5.409999847412109)
Descriptors: MW 417.31, ALogP 3.09, HBA 5, HBD 1, PSA 67.35, QED 0.78
Compound (SMILES): C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1
InChIKey: DQVRGKHUTZYWMX-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 420.31, ALogP 2.84, HBA 5, HBD 1, PSA 70.59, QED 0.81
Compound (SMILES): C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3nccc(C(F)(F)F)n3)C2)cc1
InChIKey: YKRDXSIPFCZLPX-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 409.41, ALogP 3.1, HBA 5, HBD 1, PSA 70.59, QED 0.82
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nnc(-c4ccccc4)s3)C2)cc1
InChIKey: PIUFBBSBMSYOQW-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3820 nM (pChEMBL 5.420000076293945)
Descriptors: MW 394.5, ALogP 3.67, HBA 6, HBD 1, PSA 67.35, QED 0.69
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(Cl)cn3)C2)cc1
InChIKey: CRZHJINZPRTZQG-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 346.82, ALogP 2.59, HBA 5, HBD 1, PSA 67.35, QED 0.9
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIKey: NRVPHVSSOWVWHT-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2040 nM (pChEMBL 5.690000057220459)
Descriptors: MW 361.45, ALogP 3.7, HBA 4, HBD 1, PSA 54.46, QED 0.75
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc4ccccc4o3)C2)cc1
InChIKey: ALZIGQSFRPUHCB-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 351.41, ALogP 3.29, HBA 5, HBD 1, PSA 67.6, QED 0.76
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(C(F)(F)F)cc(C)n3)C2)cc1
InChIKey: LBCWOTHAZHHGMK-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3990 nM (pChEMBL 5.400000095367432)
Descriptors: MW 393.41, ALogP 3.87, HBA 4, HBD 1, PSA 54.46, QED 0.84
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(C(C)C)cn3)C2)cc1
InChIKey: RQMBYNLMFIOWBV-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2450 nM (pChEMBL 5.610000133514404)
Descriptors: MW 353.47, ALogP 3.67, HBA 4, HBD 1, PSA 54.46, QED 0.86
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nccc4ccccc34)C2)cc1
InChIKey: OINMEOCEWVXBAA-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 6230 nM (pChEMBL 5.210000038146973)
Descriptors: MW 361.45, ALogP 3.7, HBA 4, HBD 1, PSA 54.46, QED 0.75
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(Cl)ccn3)C2)cc1
InChIKey: CJDQVTYBAGLOLG-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3470 nM (pChEMBL 5.460000038146973)
Descriptors: MW 345.83, ALogP 3.2, HBA 4, HBD 1, PSA 54.46, QED 0.9
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(-c4ccccc4)cn3)C2)cc1
InChIKey: ISNPFKYJHOREAM-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 387.48, ALogP 4.21, HBA 4, HBD 1, PSA 54.46, QED 0.69
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(C(F)(F)F)n3)C2)cc1
InChIKey: FNZVHBKUPPTMFE-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 380.37, ALogP 2.96, HBA 5, HBD 1, PSA 67.35, QED 0.86
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nccc(C(F)(F)F)c3F)C2)cc1
InChIKey: WXMRJBDKPNRDJT-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 397.37, ALogP 3.7, HBA 4, HBD 1, PSA 54.46, QED 0.78
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(C4(C#N)CC4)cn3)C2)cc1
InChIKey: PRBSUHPCHSOQKK-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1060 nM (pChEMBL 5.96999979019165)
Descriptors: MW 376.46, ALogP 3.1, HBA 5, HBD 1, PSA 78.25, QED 0.84
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc4ccccc4s3)C2)cc1
InChIKey: RDQJRYBKFBOOJX-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 367.47, ALogP 3.76, HBA 5, HBD 1, PSA 54.46, QED 0.75
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(C(F)(F)F)ncn3)C2)cc1
InChIKey: RMZLEHUUZNAGKN-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 6110 nM (pChEMBL 5.210000038146973)
Descriptors: MW 380.37, ALogP 2.96, HBA 5, HBD 1, PSA 67.35, QED 0.86
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4cc(Cl)ccc4n3)C2)cc1
InChIKey: AAPALKSRCHGDKE-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 690 nM (pChEMBL 6.159999847412109)
Descriptors: MW 395.89, ALogP 4.35, HBA 4, HBD 1, PSA 54.46, QED 0.7
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nccc(C(F)(F)F)n3)C2)cc1
InChIKey: CPUXZQBEELNIND-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 380.37, ALogP 2.96, HBA 5, HBD 1, PSA 67.35, QED 0.86
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(Br)cn3)C2)cc1
InChIKey: LHZAUHIUOCLDNC-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 390.28, ALogP 3.31, HBA 4, HBD 1, PSA 54.46, QED 0.85
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(Br)ccn3)C2)cc1
InChIKey: FQDGCOPFILJOKU-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 390.28, ALogP 3.31, HBA 4, HBD 1, PSA 54.46, QED 0.85
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(C(F)(F)F)cn3)C2)cc1
InChIKey: ZJGYGLVWMUVLJZ-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 379.38, ALogP 3.57, HBA 4, HBD 1, PSA 54.46, QED 0.86
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(C(F)(F)F)ccn3)C2)cc1
InChIKey: ARZUTRAULAEPQM-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 770 nM (pChEMBL 6.110000133514404)
Descriptors: MW 379.38, ALogP 3.57, HBA 4, HBD 1, PSA 54.46, QED 0.86
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(C(F)(F)F)n3)C2)cc1
InChIKey: BFACNYHLUGUQGV-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 379.38, ALogP 3.57, HBA 4, HBD 1, PSA 54.46, QED 0.86
Compound (SMILES): COc1ccc2nc(N3CC(Oc4ccc([C@H](C)NC(C)=O)cc4)C3)ccc2c1
InChIKey: SKYJQNOEXHWSHR-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 391.47, ALogP 3.71, HBA 5, HBD 1, PSA 63.69, QED 0.69
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc4nc(-c5ccccc5)oc4n3)C2)cc1
InChIKey: JMOTXBFEQSCYHM-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1180 nM (pChEMBL 5.929999828338623)
Descriptors: MW 429.48, ALogP 3.75, HBA 7, HBD 1, PSA 93.38, QED 0.5
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3noc4ccccc34)C2)cc1
InChIKey: UXTITQBOEGFQMV-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 351.41, ALogP 3.29, HBA 5, HBD 1, PSA 67.6, QED 0.76
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc4nc(-c5ccsc5)oc4n3)C2)cc1
InChIKey: AGJHSIQJCCFQKU-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 13340 nM (pChEMBL 4.880000114440918)
Descriptors: MW 435.51, ALogP 3.81, HBA 8, HBD 1, PSA 93.38, QED 0.49
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C(C)(C)C)cn3)C2)cc1
InChIKey: BWBRYVRJDMPHSY-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 368.48, ALogP 3.24, HBA 5, HBD 1, PSA 67.35, QED 0.88
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cnc4ccccc4n3)C2)cc1
InChIKey: APAINKVVRJWNDT-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 362.43, ALogP 3.09, HBA 5, HBD 1, PSA 67.35, QED 0.76
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(C(F)(F)F)c3)C2)cc1
InChIKey: SEEZBLMYMFEJJV-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1170 nM (pChEMBL 5.929999828338623)
Descriptors: MW 379.38, ALogP 3.57, HBA 4, HBD 1, PSA 54.46, QED 0.86
Compound (SMILES): CCOC(=O)c1cnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1
InChIKey: PONNFTGXJLMRMO-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1380 nM (pChEMBL 5.860000133514404)
Descriptors: MW 384.44, ALogP 2.12, HBA 7, HBD 1, PSA 93.65, QED 0.73
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C(F)(F)F)cc3F)C2)cc1
InChIKey: VTOFOSHGSKJRLS-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 397.37, ALogP 3.7, HBA 4, HBD 1, PSA 54.46, QED 0.78
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(Cl)c(C(F)(F)F)n3)C2)cc1
InChIKey: DJRHHMOIIVGRCA-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 413.83, ALogP 4.22, HBA 4, HBD 1, PSA 54.46, QED 0.8
Compound (SMILES): CCOC(=O)c1cnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1C(F)(F)F
InChIKey: BXCSVSWAAHVFMC-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1730 nM (pChEMBL 5.760000228881836)
Descriptors: MW 452.43, ALogP 3.14, HBA 7, HBD 1, PSA 93.65, QED 0.65
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(OC(C)C)cn3)C2)cc1
InChIKey: UBQVALWGZPSNLC-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 370.45, ALogP 2.73, HBA 6, HBD 1, PSA 76.58, QED 0.81
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(Br)c(C#N)n3)C2)cc1
InChIKey: WRTASYJUVBGKKL-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1110 nM (pChEMBL 5.960000038146973)
Descriptors: MW 415.29, ALogP 3.18, HBA 5, HBD 1, PSA 78.25, QED 0.81
Compound (SMILES): CCOC(=O)c1cc(C#N)c(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1C(F)(F)F
InChIKey: MPKZXUPMILEFEL-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1140 nM (pChEMBL 5.940000057220459)
Descriptors: MW 476.46, ALogP 3.61, HBA 7, HBD 1, PSA 104.55, QED 0.61
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(F)c(C(F)(F)F)n3)C2)cc1
InChIKey: BCECFGYSHJKJBH-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 397.37, ALogP 3.7, HBA 4, HBD 1, PSA 54.46, QED 0.78
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc4ccccc4nc3C)C2)cc1
InChIKey: SJKNRLGGOHRYHK-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3050 nM (pChEMBL 5.519999980926514)
Descriptors: MW 376.46, ALogP 3.4, HBA 5, HBD 1, PSA 67.35, QED 0.74
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(Br)cc3F)C2)cc1
InChIKey: RJBPPEGJNANPDK-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 408.27, ALogP 3.45, HBA 4, HBD 1, PSA 54.46, QED 0.82
Compound (SMILES): CCCc1cnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1
InChIKey: QYCRPOXJBLWIBK-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 354.45, ALogP 2.89, HBA 5, HBD 1, PSA 67.35, QED 0.83
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cncc(C(F)(F)F)c3)C2)cc1
InChIKey: JOXDSAAAWKOCNS-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1050 nM (pChEMBL 5.980000019073486)
Descriptors: MW 379.38, ALogP 3.57, HBA 4, HBD 1, PSA 54.46, QED 0.86
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc(-c4ccccc4)no3)C2)cc1
InChIKey: FENFWBDJVAFUJG-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3480 nM (pChEMBL 5.460000038146973)
Descriptors: MW 378.43, ALogP 3.2, HBA 6, HBD 1, PSA 80.49, QED 0.71
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(OCC4CC4(F)F)cn3)C2)cc1
InChIKey: AGRDSLPTERAZDC-KNVGNIICSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 418.44, ALogP 2.98, HBA 6, HBD 1, PSA 76.58, QED 0.71
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc(C(F)(F)F)ccc3F)C2)cc1
InChIKey: LHZAZGSQVXNNBV-NSHDSACASA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 397.37, ALogP 3.7, HBA 4, HBD 1, PSA 54.46, QED 0.78
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: HSKGCCXWEWJRRQ-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 352.44, ALogP 2.82, HBA 5, HBD 1, PSA 67.35, QED 0.87
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C)cn3)C2)cc1
InChIKey: OFDUHDSMAAWSJW-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2180 nM (pChEMBL 5.659999847412109)
Descriptors: MW 326.4, ALogP 2.25, HBA 5, HBD 1, PSA 67.35, QED 0.91
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1
InChIKey: MSRACBIPRQYUFE-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 406.46, ALogP 3.75, HBA 5, HBD 1, PSA 67.35, QED 0.68
Compound (SMILES): COc1cc(-c2cnc(N3CC(Oc4ccc([C@H](C)NC(C)=O)cc4)C3)nc2)ccn1
InChIKey: YGPSAUOMQITURC-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1740 nM (pChEMBL 5.760000228881836)
Descriptors: MW 419.49, ALogP 3.01, HBA 7, HBD 1, PSA 89.47, QED 0.63
Compound (SMILES): CC(=O)NC(C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: HSKGCCXWEWJRRQ-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 352.44, ALogP 2.82, HBA 5, HBD 1, PSA 67.35, QED 0.87
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OCC4CC4)c3)C2)cc1
InChIKey: UZJGQTNIQHRMED-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 380.49, ALogP 3.94, HBA 4, HBD 1, PSA 50.8, QED 0.75
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OCC4CC4(F)F)c3)C2)cc1
InChIKey: ROQHMQHYQJJSJF-BUSXIPJBSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1250 nM (pChEMBL 5.900000095367432)
Descriptors: MW 416.47, ALogP 4.19, HBA 4, HBD 1, PSA 50.8, QED 0.7
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OC4CCCC4)c3)C2)cc1
InChIKey: WUGQYUNULRGEAL-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 394.52, ALogP 4.47, HBA 4, HBD 1, PSA 50.8, QED 0.75
Compound (SMILES): CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)c(OC)c1
InChIKey: VTLPNMYJGIBUBF-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 7700 nM (pChEMBL 5.110000133514404)
Descriptors: MW 424.54, ALogP 4.34, HBA 5, HBD 1, PSA 60.03, QED 0.61
Compound (SMILES): CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CF)cc3)C2)c(OC)c1
InChIKey: VCJPZUWDWYXNAP-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2370 nM (pChEMBL 5.619999885559082)
Descriptors: MW 416.49, ALogP 3.9, HBA 5, HBD 1, PSA 60.03, QED 0.64
Compound (SMILES): CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)c(OC)c1
InChIKey: WUFBRIXAMBMOEJ-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1090 nM (pChEMBL 5.960000038146973)
Descriptors: MW 450.54, ALogP 3.97, HBA 6, HBD 2, PSA 88.71, QED 0.49
Compound (SMILES): CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)c(OC)c1
InChIKey: NUUYHYDSPVIUMV-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 467.59, ALogP 4.7, HBA 7, HBD 1, PSA 72.92, QED 0.47
Compound (SMILES): C[C@H](NC(=O)c1cn[nH]c1)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: WLPOWVFRDCCKGM-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 404.47, ALogP 2.84, HBA 6, HBD 2, PSA 96.03, QED 0.63
Compound (SMILES): C[C@H](NC(=O)CC#N)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: NEDBKFXBQWQPAS-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1770 nM (pChEMBL 5.75)
Descriptors: MW 377.45, ALogP 2.71, HBA 6, HBD 1, PSA 91.14, QED 0.8
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)cc1
InChIKey: YPLPBSZXYGWBMD-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 406.49, ALogP 3.57, HBA 5, HBD 2, PSA 79.48, QED 0.6
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CC#N)cc3)C2)cc1
InChIKey: ORAADFKHPHHPEG-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 379.46, ALogP 3.44, HBA 5, HBD 1, PSA 74.59, QED 0.76
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4(C)CC4)cc3)C2)cc1
InChIKey: MWBDJQGKYGZFKS-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1150 nM (pChEMBL 5.940000057220459)
Descriptors: MW 394.52, ALogP 4.33, HBA 4, HBD 1, PSA 50.8, QED 0.72
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cnc(NC(=O)CO)s4)cc3)C2)cc1
InChIKey: SMTAVUXVWJQTMV-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 496.59, ALogP 3.23, HBA 8, HBD 3, PSA 113.02, QED 0.39
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cccc(NC(C)=O)c4)cc3)C2)cc1
InChIKey: RYIMMBLFBCPZGC-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2840 nM (pChEMBL 5.550000190734863)
Descriptors: MW 473.57, ALogP 4.8, HBA 5, HBD 2, PSA 79.9, QED 0.47
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4(C#N)CC4)cc3)C2)cc1
InChIKey: HFRFWQWMJCHEDW-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 405.5, ALogP 3.83, HBA 5, HBD 1, PSA 74.59, QED 0.72
Compound (SMILES): C=CCC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC)cc3)C2)cc1
InChIKey: YVELFPRGDADNAL-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 380.49, ALogP 4.11, HBA 4, HBD 1, PSA 50.8, QED 0.67
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccnnc4)cc3)C2)cc1
InChIKey: QHOGOHOHBBWLHQ-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2250 nM (pChEMBL 5.650000095367432)
Descriptors: MW 418.5, ALogP 3.63, HBA 6, HBD 1, PSA 76.58, QED 0.6
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CC4CC4)cc3)C2)cc1
InChIKey: LGXQTLUBLHVOIC-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1740 nM (pChEMBL 5.760000228881836)
Descriptors: MW 394.52, ALogP 4.33, HBA 4, HBD 1, PSA 50.8, QED 0.69
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C(C)C)cc3)C2)cc1
InChIKey: NJBOVGPXUMXIJV-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 382.5, ALogP 4.19, HBA 4, HBD 1, PSA 50.8, QED 0.74
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CO)cc3)C2)cc1
InChIKey: CFKDVTBFMBWNBT-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2790 nM (pChEMBL 5.550000190734863)
Descriptors: MW 370.45, ALogP 2.52, HBA 5, HBD 2, PSA 71.03, QED 0.75
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CC(F)(F)F)cc3)C2)cc1
InChIKey: BHEOCTQKGHPHOS-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 740 nM (pChEMBL 6.130000114440918)
Descriptors: MW 422.45, ALogP 4.48, HBA 4, HBD 1, PSA 50.8, QED 0.68
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC(F)C4)cc3)C2)cc1
InChIKey: XHPBJEFOLIXIIF-IVMQYODDSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 690 nM (pChEMBL 6.159999847412109)
Descriptors: MW 412.51, ALogP 4.28, HBA 4, HBD 1, PSA 50.8, QED 0.7
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CCC4)cc3)C2)cc1
InChIKey: WFAYISHGJAEXEP-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 394.52, ALogP 4.33, HBA 4, HBD 1, PSA 50.8, QED 0.72
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4(C(F)(F)F)CC4)cc3)C2)cc1
InChIKey: XEHCERKZWHIADP-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 448.49, ALogP 4.87, HBA 4, HBD 1, PSA 50.8, QED 0.63
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4nc(C)sc4C)cc3)C2)cc1
InChIKey: ZBXHRROQFLVKNL-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1870 nM (pChEMBL 5.730000019073486)
Descriptors: MW 451.59, ALogP 4.92, HBA 6, HBD 1, PSA 63.69, QED 0.53
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CN(C)C)cc3)C2)cc1
InChIKey: RMTRQVMMQGOREW-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 5790 nM (pChEMBL 5.239999771118164)
Descriptors: MW 397.52, ALogP 3.09, HBA 5, HBD 1, PSA 54.04, QED 0.7
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)Cc4cccnc4)cc3)C2)cc1
InChIKey: CKAYEBWIIHUKRZ-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3940 nM (pChEMBL 5.409999847412109)
Descriptors: MW 431.54, ALogP 4.17, HBA 5, HBD 1, PSA 63.69, QED 0.55
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccnc(NC(C)=O)c4)cc3)C2)cc1
InChIKey: PMTZVUGSHBKDFB-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 474.56, ALogP 4.2, HBA 6, HBD 2, PSA 92.79, QED 0.48
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CCOC)cc3)C2)cc1
InChIKey: NIMSTPLWLCCORC-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2780 nM (pChEMBL 5.559999942779541)
Descriptors: MW 398.5, ALogP 3.57, HBA 5, HBD 1, PSA 60.03, QED 0.66
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC(C)C4)cc3)C2)cc1
InChIKey: IKMBJSPYAWWFNI-FDYSRKEFSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 408.54, ALogP 4.58, HBA 4, HBD 1, PSA 50.8, QED 0.69
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4sc(NC(C)=O)nc4C)cc3)C2)cc1
InChIKey: QWTKWBKJVGEQNA-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 494.62, ALogP 4.57, HBA 7, HBD 2, PSA 92.79, QED 0.45
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CC)cc3)C2)cc1
InChIKey: JIDIOBGHFSFYNY-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 368.48, ALogP 3.94, HBA 4, HBD 1, PSA 50.8, QED 0.77
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CF)cc3)C2)cc1
InChIKey: SHOZCEYORWTAHX-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 670 nM (pChEMBL 6.170000076293945)
Descriptors: MW 372.44, ALogP 3.5, HBA 4, HBD 1, PSA 50.8, QED 0.77
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccno4)cc3)C2)cc1
InChIKey: IOCDLBZJRUMHEA-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1090 nM (pChEMBL 5.960000038146973)
Descriptors: MW 407.47, ALogP 3.83, HBA 6, HBD 1, PSA 76.83, QED 0.61
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cnc(NC(C)=O)s4)cc3)C2)cc1
InChIKey: AJAHTHBBFSMEKC-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 480.59, ALogP 4.26, HBA 7, HBD 2, PSA 92.79, QED 0.48
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cnco4)cc3)C2)cc1
InChIKey: OFVPCVSDDJSQGC-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 407.47, ALogP 3.83, HBA 6, HBD 1, PSA 76.83, QED 0.61
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccns4)cc3)C2)cc1
InChIKey: HRBMOWXTKOGOMU-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 810 nM (pChEMBL 6.090000152587891)
Descriptors: MW 423.54, ALogP 4.3, HBA 6, HBD 1, PSA 63.69, QED 0.59
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4csc(NC(C)=O)n4)cc3)C2)cc1
InChIKey: KQHJBKDSUDGYAQ-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3160 nM (pChEMBL 5.5)
Descriptors: MW 480.59, ALogP 4.26, HBA 7, HBD 2, PSA 92.79, QED 0.48
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C(C)(C)OC)cc3)C2)cc1
InChIKey: IGFRRGMQGDMBCN-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 3040 nM (pChEMBL 5.519999980926514)
Descriptors: MW 412.53, ALogP 3.96, HBA 5, HBD 1, PSA 60.03, QED 0.68
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccc(C)o4)cc3)C2)cc1
InChIKey: YGQHRTSLAIHBPT-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2060 nM (pChEMBL 5.690000057220459)
Descriptors: MW 420.51, ALogP 4.75, HBA 5, HBD 1, PSA 63.94, QED 0.57
Compound (SMILES): CCCc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccncc4)cc3)C2)cc1
InChIKey: YWKBDAGOODMSPJ-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1260 nM (pChEMBL 5.900000095367432)
Descriptors: MW 415.54, ALogP 4.79, HBA 4, HBD 1, PSA 54.46, QED 0.57
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CNC(=O)C4)cc3)C2)cc1
InChIKey: QEIQWRAYNSQOLB-ATNAJCNCSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 423.51, ALogP 2.67, HBA 5, HBD 2, PSA 79.9, QED 0.68
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC=CC4)cc3)C2)cc1
InChIKey: CIEXQYVEWHWOJV-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 406.53, ALogP 4.5, HBA 4, HBD 1, PSA 50.8, QED 0.66
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)cc1
InChIKey: DKGXBWASPIKJOS-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 423.54, ALogP 4.3, HBA 6, HBD 1, PSA 63.69, QED 0.59
Compound (SMILES): CCCC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC)cc3)C2)cc1
InChIKey: BKKVGSCYZWSXSE-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1690 nM (pChEMBL 5.769999980926514)
Descriptors: MW 382.5, ALogP 4.33, HBA 4, HBD 1, PSA 50.8, QED 0.7
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CCCNC(C)=O)cc3)C2)cc1
InChIKey: NQFODJCZUSASJA-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2340 nM (pChEMBL 5.630000114440918)
Descriptors: MW 439.56, ALogP 3.45, HBA 5, HBD 2, PSA 79.9, QED 0.52
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC(OC)C4)cc3)C2)cc1
InChIKey: ZUPNFVKUOUEXRB-OYMFQORVSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 930 nM (pChEMBL 6.03000020980835)
Descriptors: MW 424.54, ALogP 3.96, HBA 5, HBD 1, PSA 60.03, QED 0.66
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cccnc4)cc3)C2)cc1
InChIKey: AGWJTEHANYHBNN-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2310 nM (pChEMBL 5.639999866485596)
Descriptors: MW 417.51, ALogP 4.24, HBA 5, HBD 1, PSA 63.69, QED 0.59
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CCOC4)cc3)C2)cc1
InChIKey: ZKULDYCRSZZELE-KKFHFHRHSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1190 nM (pChEMBL 5.920000076293945)
Descriptors: MW 410.51, ALogP 3.57, HBA 5, HBD 1, PSA 60.03, QED 0.72
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)COC)cc3)C2)cc1
InChIKey: DNYMWTSCOOJURE-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1910 nM (pChEMBL 5.71999979019165)
Descriptors: MW 384.48, ALogP 3.18, HBA 5, HBD 1, PSA 60.03, QED 0.72
Compound (SMILES): CCC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: OAHPDFDFUSMLNR-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 366.47, ALogP 3.21, HBA 5, HBD 1, PSA 67.35, QED 0.81
Compound (SMILES): C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: QVGQUCWOYJTYPY-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 381.48, ALogP 2.95, HBA 5, HBD 1, PSA 70.59, QED 0.83
Compound (SMILES): CCNC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: FACCLWDZUOAPCB-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 1170 nM (pChEMBL 5.929999828338623)
Descriptors: MW 381.48, ALogP 3, HBA 5, HBD 2, PSA 79.38, QED 0.77
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)cc1
InChIKey: JGNYOPRFWFAVNM-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 670 nM (pChEMBL 6.170000076293945)
Descriptors: MW 383.49, ALogP 3.69, HBA 4, HBD 1, PSA 54.04, QED 0.79
Compound (SMILES): CCNC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC)cc3)C2)cc1
InChIKey: GTXWYOBZYMIBLP-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 383.49, ALogP 3.73, HBA 4, HBD 2, PSA 62.83, QED 0.73
Compound (SMILES): CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)c(OC)c1
InChIKey: AOXGJGQUGVWBSO-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 427.55, ALogP 4.08, HBA 5, HBD 1, PSA 63.27, QED 0.65
Compound (SMILES): COC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1
InChIKey: GKLVSXDZJGPKMP-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 368.44, ALogP 3.04, HBA 6, HBD 1, PSA 76.58, QED 0.84
Compound (SMILES): CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)OC)cc3)C2)cc1
InChIKey: WXTZKTRXTALJCJ-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 370.45, ALogP 3.77, HBA 5, HBD 1, PSA 60.03, QED 0.8
Compound (SMILES): CCCOc1cc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ncn1
InChIKey: MKLBNTPTXBJOPP-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 6010 nM (pChEMBL 5.21999979019165)
Descriptors: MW 370.45, ALogP 2.73, HBA 6, HBD 1, PSA 76.58, QED 0.77
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(OC(C)C)ncn3)C2)cc1
InChIKey: QNINEQSEDJZHMR-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 10600 nM (pChEMBL 4.96999979019165)
Descriptors: MW 370.45, ALogP 2.73, HBA 6, HBD 1, PSA 76.58, QED 0.81
Compound (SMILES): CCOc1cc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ncn1
InChIKey: RAKIECNNQGQSCO-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 11750 nM (pChEMBL 4.929999828338623)
Descriptors: MW 356.43, ALogP 2.34, HBA 6, HBD 1, PSA 76.58, QED 0.82
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(OCC4CC4)ncn3)C2)cc1
InChIKey: GHVTWMAXUAZEJT-AWEZNQCLSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Enzyme Assay: Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).
Measurement: IC50 = 2390 nM (pChEMBL 5.619999885559082)
Descriptors: MW 382.46, ALogP 2.73, HBA 6, HBD 1, PSA 76.58, QED 0.76