lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)C(F)(F)F
InChIKey: PMTAIGMKDDAQLC-DJNXLDHESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 446.51, ALogP 5.45, HBA 3, HBD 1, PSA 41.57, QED 0.59
Compound (SMILES): C[C@H](NC(=O)Cc1cncnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: UDOJXRMQNXMSPY-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 442.56, ALogP 4.29, HBA 5, HBD 1, PSA 67.35, QED 0.54
Compound (SMILES): CC(=O)Nc1ncc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1
InChIKey: RUTLZVXYULNFER-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1690 nM (pChEMBL 5.769999980926514)
Descriptors: MW 490.63, ALogP 4.99, HBA 6, HBD 2, PSA 83.56, QED 0.44
Compound (SMILES): COCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: NQXDKHGPOUBPSA-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2170 nM (pChEMBL 5.659999847412109)
Descriptors: MW 394.52, ALogP 3.9, HBA 4, HBD 1, PSA 50.8, QED 0.7
Compound (SMILES): CC(=O)Nc1cncc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c1
InChIKey: VFNOLZCQBSZOHE-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2180 nM (pChEMBL 5.659999847412109)
Descriptors: MW 484.6, ALogP 4.92, HBA 5, HBD 2, PSA 83.56, QED 0.45
Compound (SMILES): C[C@H](NC(=O)c1cnco1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: RZKJQFQDERORKZ-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 417.51, ALogP 4.56, HBA 5, HBD 1, PSA 67.6, QED 0.58
Compound (SMILES): C#CCCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: HXPJVEUCUJIZMO-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2380 nM (pChEMBL 5.619999885559082)
Descriptors: MW 402.54, ALogP 4.67, HBA 3, HBD 1, PSA 41.57, QED 0.62
Compound (SMILES): CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)co1
InChIKey: HJUVMMNDJUTTSU-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2360 nM (pChEMBL 5.630000114440918)
Descriptors: MW 474.56, ALogP 4.52, HBA 6, HBD 2, PSA 96.7, QED 0.47
Compound (SMILES): CC(F)C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: KSWQERSCRURBGM-DJNXLDHESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1330 nM (pChEMBL 5.880000114440918)
Descriptors: MW 396.51, ALogP 4.61, HBA 3, HBD 1, PSA 41.57, QED 0.71
Compound (SMILES): C[C@H](NC(=O)C1CC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: XGKJIRMQTUVRSU-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 390.53, ALogP 4.67, HBA 3, HBD 1, PSA 41.57, QED 0.71
Compound (SMILES): C[C@H](NC(=O)c1cncs1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: LRRFMHTWAHKSFU-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1650 nM (pChEMBL 5.78000020980835)
Descriptors: MW 421.52, ALogP 4.01, HBA 6, HBD 1, PSA 63.69, QED 0.67
Compound (SMILES): C[C@H](NC(=O)c1ccnnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: VWKIMWNVPRTYQI-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 3010 nM (pChEMBL 5.519999980926514)
Descriptors: MW 428.54, ALogP 4.36, HBA 5, HBD 1, PSA 67.35, QED 0.58
Compound (SMILES): CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)ccn1
InChIKey: XYTWYNLUNOQOJH-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 484.6, ALogP 4.92, HBA 5, HBD 2, PSA 83.56, QED 0.45
Compound (SMILES): Cc1cc(CC(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)on1
InChIKey: MWSIBOGUSHQCQG-IBGZPJMESA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1170 nM (pChEMBL 5.929999828338623)
Descriptors: MW 445.56, ALogP 4.8, HBA 5, HBD 1, PSA 67.6, QED 0.51
Compound (SMILES): CC(F)C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: MQOOTKHHTCGRAQ-LOACHALJSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2520 nM (pChEMBL 5.599999904632568)
Descriptors: MW 384.45, ALogP 3.6, HBA 4, HBD 1, PSA 50.8, QED 0.86
Compound (SMILES): CC(Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1CCC1
InChIKey: KCODMIRTPWMFRD-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2910 nM (pChEMBL 5.539999961853027)
Descriptors: MW 418.58, ALogP 4.93, HBA 3, HBD 1, PSA 41.57, QED 0.63
Compound (SMILES): CC(Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1(C)CC1
InChIKey: MFLCXHCYYNGFRF-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1220 nM (pChEMBL 5.909999847412109)
Descriptors: MW 418.58, ALogP 4.93, HBA 3, HBD 1, PSA 41.57, QED 0.63
Compound (SMILES): C[C@H](NC(=O)C1CC1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: LCKVUQNGZXUFCL-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2460 nM (pChEMBL 5.610000133514404)
Descriptors: MW 378.47, ALogP 3.65, HBA 4, HBD 1, PSA 50.8, QED 0.86
Compound (SMILES): Cc1nocc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: FJOHTQYJCRJXJT-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1180 nM (pChEMBL 5.929999828338623)
Descriptors: MW 419.48, ALogP 3.85, HBA 6, HBD 1, PSA 76.83, QED 0.68
Compound (SMILES): C=CCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: JQLFZWGZVQDMRA-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 970 nM (pChEMBL 6.010000228881836)
Descriptors: MW 378.47, ALogP 3.81, HBA 4, HBD 1, PSA 50.8, QED 0.78
Compound (SMILES): CC(=O)NCCCC(=O)NC(C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: DFVGDRFXIMHEGB-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1680 nM (pChEMBL 5.78000020980835)
Descriptors: MW 463.62, ALogP 4.04, HBA 4, HBD 2, PSA 70.67, QED 0.47
Compound (SMILES): CCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: QLDVCWJXPSRHRV-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 366.46, ALogP 3.65, HBA 4, HBD 1, PSA 50.8, QED 0.88
Compound (SMILES): CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc5c(c4)OCCO5)C3)cc2)ccn1
InChIKey: FBUFOVZDOYCVMY-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 472.55, ALogP 3.91, HBA 6, HBD 2, PSA 92.79, QED 0.57
Compound (SMILES): C[C@H](NC(=O)C(F)F)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: SWSPHJNVAOYWDY-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1020 nM (pChEMBL 5.989999771118164)
Descriptors: MW 388.41, ALogP 3.5, HBA 4, HBD 1, PSA 50.8, QED 0.85
Compound (SMILES): C[C@H](NC(=O)c1cnn(C)c1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: YHMSKQLGAHOJBA-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1690 nM (pChEMBL 5.769999980926514)
Descriptors: MW 418.5, ALogP 3.29, HBA 6, HBD 1, PSA 68.62, QED 0.69
Compound (SMILES): CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc5c(c4)OCCO5)C3)cc2)s1
InChIKey: ILVIEFRCMFHLLO-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1970 nM (pChEMBL 5.710000038146973)
Descriptors: MW 492.6, ALogP 4.28, HBA 7, HBD 2, PSA 92.79, QED 0.53
Compound (SMILES): C[C@H](NC(=O)c1ccon1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: DGRYZWMTSXULHC-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2490 nM (pChEMBL 5.599999904632568)
Descriptors: MW 405.45, ALogP 3.54, HBA 6, HBD 1, PSA 76.83, QED 0.7
Compound (SMILES): Cc1oncc1C(=O)NC(C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: XRGKHMQLVQFBSA-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 960 nM (pChEMBL 6.019999980926514)
Descriptors: MW 445.56, ALogP 4.74, HBA 5, HBD 1, PSA 67.6, QED 0.52
Compound (SMILES): C[C@H](NC(=O)C(C)(C)O)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: WITLTCUPBUXGKU-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 3080 nM (pChEMBL 5.510000228881836)
Descriptors: MW 408.54, ALogP 4.03, HBA 4, HBD 2, PSA 61.8, QED 0.69
Compound (SMILES): Cc1oncc1C(=O)NC(C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: NGVYQVRIIPFWRH-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2820 nM (pChEMBL 5.550000190734863)
Descriptors: MW 433.51, ALogP 3.72, HBA 6, HBD 1, PSA 76.83, QED 0.64
Compound (SMILES): CC(Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)c1ccon1
InChIKey: MFZWMBPXZWKETJ-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 431.54, ALogP 4.43, HBA 5, HBD 1, PSA 67.6, QED 0.54
Compound (SMILES): C[C@H](NC(=O)CC#N)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: UBKFZQQTLQEWFT-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1220 nM (pChEMBL 5.909999847412109)
Descriptors: MW 389.5, ALogP 4.17, HBA 4, HBD 1, PSA 65.36, QED 0.74
Compound (SMILES): CCOC(=O)C1(F)CC1C(=O)NC(C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: ZLWJFCAGVUXHNN-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 494.61, ALogP 4.42, HBA 5, HBD 1, PSA 67.87, QED 0.47
Compound (SMILES): C[C@H](NC(=O)CCO)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: XWPOWIQNZPPHIA-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 2440 nM (pChEMBL 5.610000133514404)
Descriptors: MW 394.52, ALogP 3.64, HBA 4, HBD 2, PSA 61.8, QED 0.68
Compound (SMILES): C[C@H](NC(=O)c1ccon1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: DZZDUPSUDDFOER-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 417.51, ALogP 4.56, HBA 5, HBD 1, PSA 67.6, QED 0.58
Compound (SMILES): C[C@H](NC(=O)CO)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: ZHWXKEJQDIXLPY-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1620 nM (pChEMBL 5.789999961853027)
Descriptors: MW 380.49, ALogP 3.25, HBA 4, HBD 2, PSA 61.8, QED 0.74
Compound (SMILES): CCC(=O)NC(C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1
InChIKey: UXCLEYOUKHKKFI-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 3130 nM (pChEMBL 5.5)
Descriptors: MW 380.49, ALogP 3.52, HBA 4, HBD 1, PSA 50.8, QED 0.83
Compound (SMILES): CC(Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1)NC(=O)C(F)F
InChIKey: WJVWQCVTBNGCJH-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 402.44, ALogP 3.37, HBA 4, HBD 1, PSA 50.8, QED 0.81
Compound (SMILES): C[C@H](NC(=O)C(F)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: QIBANHPIRAHSPJ-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 400.47, ALogP 4.52, HBA 3, HBD 1, PSA 41.57, QED 0.71
Compound (SMILES): C[C@H](NC(=O)c1cncs1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: LERQWYLGGDXDKI-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 433.58, ALogP 5.03, HBA 5, HBD 1, PSA 54.46, QED 0.54
Compound (SMILES): Cc1nocc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: PLOKYDNRUNSGHS-KRWDZBQOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 431.54, ALogP 4.87, HBA 5, HBD 1, PSA 67.6, QED 0.55
Compound (SMILES): C[C@H](NC(=O)C(C)(F)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: LETDTRBLVNGDIL-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 414.5, ALogP 4.91, HBA 3, HBD 1, PSA 41.57, QED 0.67
Compound (SMILES): C[C@H](NC(=O)CF)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: YZQHYQVSNDVGCJ-INIZCTEOSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 382.48, ALogP 4.23, HBA 3, HBD 1, PSA 41.57, QED 0.74
Compound (SMILES): C[C@H](NC(=O)c1cnn(C)c1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: MNHOQAKFAXSLSZ-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 620 nM (pChEMBL 6.210000038146973)
Descriptors: MW 430.55, ALogP 4.3, HBA 5, HBD 1, PSA 59.39, QED 0.58
Compound (SMILES): C=CCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIKey: PLAOQAWIIWFOLN-SFHVURJKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 630 nM (pChEMBL 6.199999809265137)
Descriptors: MW 390.53, ALogP 4.83, HBA 3, HBD 1, PSA 41.57, QED 0.62
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(C2CN(c3nc(N(C)CC(F)F)ncc3F)C2)cc1
InChIKey: DHNXXHVUPVEPON-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1820 nM (pChEMBL 5.739999771118164)
Descriptors: MW 407.44, ALogP 3.12, HBA 5, HBD 1, PSA 61.36, QED 0.76
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(C2CN(c3nc(N(C)C)ncc3F)C2)cc1
InChIKey: UNSDPSQMIHXACV-LBPRGKRZSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1010 nM (pChEMBL 6)
Descriptors: MW 357.43, ALogP 2.48, HBA 5, HBD 1, PSA 61.36, QED 0.89
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccnc(OCC4CC4(F)F)c3F)C2)cc1
InChIKey: VWAYBWSVJJEUQF-FVRDMJKUSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1510 nM (pChEMBL 5.820000171661377)
Descriptors: MW 419.45, ALogP 4.06, HBA 4, HBD 1, PSA 54.46, QED 0.74
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccnc(OCC(F)F)c3)C2)cc1
InChIKey: HWRHLQYAOUCZPH-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1220 nM (pChEMBL 5.909999847412109)
Descriptors: MW 375.42, ALogP 3.53, HBA 4, HBD 1, PSA 54.46, QED 0.8
Compound (SMILES): CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccnc(OCC4CC4)c3)C2)cc1
InChIKey: SAHUWRKOGHDIOM-HNNXBMFYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 1590 nM (pChEMBL 5.800000190734863)
Descriptors: MW 365.48, ALogP 3.67, HBA 4, HBD 1, PSA 54.46, QED 0.81
Compound (SMILES): CCCOc1ncnc(N2CC(c3ccc([C@H](C)NC(C)=O)cc3)C2)c1Cl
InChIKey: PCJQRQJSOKQVRY-ZDUSSCGKSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Spectrophotometric 384 Well Assay: Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 388.9, ALogP 3.72, HBA 5, HBD 1, PSA 67.35, QED 0.78