lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: WCPPKHNLYHIGTP-SJKOYZFVSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 368.82, ALogP 4.78, HBA 5, HBD 2, PSA 75.54, QED 0.63
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: LWSIOFJPNMXDSO-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 403.27, ALogP 5.44, HBA 5, HBD 2, PSA 75.54, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: ZYLUAIRGNHGJFV-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 386.81, ALogP 4.92, HBA 5, HBD 2, PSA 75.54, QED 0.61
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(OC)c3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: SUEYNNNIDUVKDD-KPZWWZAWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 398.85, ALogP 4.79, HBA 6, HBD 2, PSA 84.77, QED 0.58
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(O)c3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: BMEHDVOBZOEISJ-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 384.82, ALogP 4.49, HBA 6, HBD 3, PSA 95.77, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: ZOBHLNTUGXEUMC-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 384.82, ALogP 4.49, HBA 6, HBD 3, PSA 95.77, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(O)c3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: BMEHDVOBZOEISJ-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 384.82, ALogP 4.49, HBA 6, HBD 3, PSA 95.77, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: ZOBHLNTUGXEUMC-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 384.82, ALogP 4.49, HBA 6, HBD 3, PSA 95.77, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c(CC)c1Cl
InChIKey: ULJQSBYTDTYVOD-KPZWWZAWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 382.85, ALogP 5.04, HBA 5, HBD 2, PSA 75.54, QED 0.58
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)cc1Cl
InChIKey: SZVKOXPOSCRQSD-MEDUHNTESA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 354.8, ALogP 4.47, HBA 5, HBD 2, PSA 75.54, QED 0.66
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c2ccccc12
InChIKey: GCNMKVGMAKQJHP-VBKZILBWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 370.41, ALogP 4.97, HBA 5, HBD 2, PSA 75.54, QED 0.48
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)C(C)(C)O)c(C)c1Cl
InChIKey: BSCCDSHTMHXUEP-KRWDZBQOSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 382.85, ALogP 5.17, HBA 5, HBD 2, PSA 75.54, QED 0.59
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)C(C)(C)O)c(C)c1Cl
InChIKey: KOEXLJLFMYQQGN-KRWDZBQOSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 417.3, ALogP 5.83, HBA 5, HBD 2, PSA 75.54, QED 0.51
Compound (SMILES): C[C@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1
InChIKey: QGOAHGGOUXGJAV-MEDUHNTESA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 388.35, ALogP 4.16, HBA 6, HBD 2, PSA 94.97, QED 0.68
Compound (SMILES): [C-]#[N+]c1ccc(N[C@H](CO)c2nnc(-c3ccccc3)o2)c(C)c1Cl
InChIKey: XOQWGXMXFBFHBE-OAHLLOKOSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 354.8, ALogP 4.39, HBA 5, HBD 2, PSA 75.54, QED 0.66
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: ZYLUAIRGNHGJFV-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 386.81, ALogP 4.92, HBA 5, HBD 2, PSA 75.54, QED 0.61
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: LWSIOFJPNMXDSO-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 403.27, ALogP 5.44, HBA 5, HBD 2, PSA 75.54, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(Cl)c3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: UBVVUUVVKUTOIC-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 403.27, ALogP 5.44, HBA 5, HBD 2, PSA 75.54, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: HGBXAUOTTLEBIA-KPZWWZAWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 393.83, ALogP 4.65, HBA 6, HBD 2, PSA 99.33, QED 0.61
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: HGBXAUOTTLEBIA-KZULUSFZSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 393.83, ALogP 4.65, HBA 6, HBD 2, PSA 99.33, QED 0.61
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: QOKLJOCZUOHMQW-KPZWWZAWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 446.92, ALogP 4.19, HBA 7, HBD 2, PSA 109.68, QED 0.55
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: QOKLJOCZUOHMQW-KZULUSFZSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 258 nM (pChEMBL 6.590000152587891)
Descriptors: MW 446.92, ALogP 4.19, HBA 7, HBD 2, PSA 109.68, QED 0.55
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)s2)[C@@H](C)O)c(C)c1Cl
InChIKey: SFBPEOINXXKCLS-SJKOYZFVSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 384.89, ALogP 5.25, HBA 5, HBD 2, PSA 62.4, QED 0.59
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)s2)[C@H](C)O)c(C)c1Cl
InChIKey: SFBPEOINXXKCLS-YVEFUNNKSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 384.89, ALogP 5.25, HBA 5, HBD 2, PSA 62.4, QED 0.59
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)s2)[C@@H](C)O)c(C)c1Cl
InChIKey: PNSHZRQXZIOMEP-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 402.88, ALogP 5.39, HBA 5, HBD 2, PSA 62.4, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(F)c3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: NCNNWTVGYGWMMS-DYZYQPBXSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.03 nM (pChEMBL 10.520000457763672)
Descriptors: MW 402.81, ALogP 4.63, HBA 6, HBD 3, PSA 95.77, QED 0.54
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(Cl)c3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: BUNWWLRTVBEPHT-BMLIUANNSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 419.27, ALogP 5.14, HBA 6, HBD 3, PSA 95.77, QED 0.5
Compound (SMILES): Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)O)ccc(C#N)c1C(F)(F)F
InChIKey: FCGKIKKWJRLKLX-KZULUSFZSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 427.39, ALogP 4.34, HBA 7, HBD 2, PSA 118.76, QED 0.62
Compound (SMILES): [C-]#[N+]c1ccc(NC(c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: OUQVCOALEJPKPV-YQDUUYOCSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 437.71, ALogP 6.09, HBA 5, HBD 2, PSA 75.54, QED 0.47
Compound (SMILES): C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(-c2ccccc2)o1
InChIKey: JRITWNZCLZXLKJ-MGPLVRAMSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 389.24, ALogP 4.45, HBA 6, HBD 2, PSA 94.97, QED 0.67
Compound (SMILES): C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(-c2ccc(Cl)cc2)o1
InChIKey: FMRQUYHWRBNRDV-XXFAHNHDSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 423.69, ALogP 5.1, HBA 6, HBD 2, PSA 94.97, QED 0.59
Compound (SMILES): Cc1c(N[C@@H](c2nnc(-c3ccc(F)cc3F)o2)[C@@H](C)O)ccc(C#N)c1Cl
InChIKey: BFDFVRZRTLZEPV-BMLIUANNSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 404.8, ALogP 4.38, HBA 6, HBD 2, PSA 94.97, QED 0.65
Compound (SMILES): Cc1c(N[C@@H](c2ncc(-c3ccccc3)o2)[C@H](C)O)ccc(C#N)c1Cl
InChIKey: KBDXTJLUZVQTCJ-ORAYPTAESA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 367.84, ALogP 4.71, HBA 5, HBD 2, PSA 82.08, QED 0.68
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(Cl)c3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: BUNWWLRTVBEPHT-DYZYQPBXSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 419.27, ALogP 5.14, HBA 6, HBD 3, PSA 95.77, QED 0.5
Compound (SMILES): [C-]#[N+]c1ccc(NC(c2nnc(-c3ccccc3)o2)C(O)c2ccccc2)c(C)c1Cl
InChIKey: FJNHOCIPFZGVNG-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 430.9, ALogP 6.14, HBA 5, HBD 2, PSA 75.54, QED 0.36
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(F)c3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: CTOBCNUBEBEEMA-BMLIUANNSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.1 nM (pChEMBL 10)
Descriptors: MW 404.8, ALogP 5.06, HBA 5, HBD 2, PSA 75.54, QED 0.58
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(O)c3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: XYBGFDIGGTXMCX-DYZYQPBXSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 402.81, ALogP 4.63, HBA 6, HBD 3, PSA 95.77, QED 0.54
Compound (SMILES): [C-]#[N+]c1ccc(NC(c2nnc(-c3ccc(F)c(O)c3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: XYBGFDIGGTXMCX-YQDUUYOCSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 0.02 nM (pChEMBL 10.699999809265137)
Descriptors: MW 402.81, ALogP 4.63, HBA 6, HBD 3, PSA 95.77, QED 0.54
Compound (SMILES): Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)ccc(C#N)c1C(F)(F)F
InChIKey: FCGKIKKWJRLKLX-KPZWWZAWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 427.39, ALogP 4.34, HBA 7, HBD 2, PSA 118.76, QED 0.62
Compound (SMILES): [C-]#[N+]c1ccc(NC(c2nnc(C)o2)[C@H](C)O)c(C)c1Cl
InChIKey: OASSMDZRNJIABC-OADYLZGLSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 306.75, ALogP 3.42, HBA 5, HBD 2, PSA 75.54, QED 0.85
Compound (SMILES): C[C@@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccc(C#N)cc2)o1
InChIKey: QFWHOBZCMVQJMF-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 413.36, ALogP 4.03, HBA 7, HBD 2, PSA 118.76, QED 0.65
Compound (SMILES): C[C@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccc(C#N)cc2)o1
InChIKey: QFWHOBZCMVQJMF-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 413.36, ALogP 4.03, HBA 7, HBD 2, PSA 118.76, QED 0.65
Compound (SMILES): C[C@@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1
InChIKey: OSVFNPLVQFWYAU-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 379.81, ALogP 3.67, HBA 7, HBD 2, PSA 118.76, QED 0.69
Compound (SMILES): CCc1c(N[C@@H](C2=NOC(c3ccc(C#N)cc3)O2)[C@H](C)O)ccc(C#N)c1Cl
InChIKey: WKKOOWMSGNTRPO-DQGCZVNZSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 410.86, ALogP 3.87, HBA 7, HBD 2, PSA 110.66, QED 0.75
Compound (SMILES): C[C@H](O)C(Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1
InChIKey: TYPKKWCJNAXJFA-PIJUOJQZSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 432.89, ALogP 3.2, HBA 8, HBD 2, PSA 129.11, QED 0.61
Compound (SMILES): C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1
InChIKey: OSVFNPLVQFWYAU-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 379.81, ALogP 3.67, HBA 7, HBD 2, PSA 118.76, QED 0.69
Compound (SMILES): C[C@@H](O)[C@@H](Nc1ccc(C#N)c2ccccc12)c1nnc(-c2ccc(C#N)cc2)o1
InChIKey: GUNKXJBZHJABGW-SPLOXXLWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 395.42, ALogP 4.17, HBA 7, HBD 2, PSA 118.76, QED 0.52
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c2ccccc12
InChIKey: GCNMKVGMAKQJHP-JLTOFOAXSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 370.41, ALogP 4.97, HBA 5, HBD 2, PSA 75.54, QED 0.48
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(-n4cccn4)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: WFEPKKVIZOHUEM-VBKZILBWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 434.89, ALogP 4.97, HBA 7, HBD 2, PSA 93.36, QED 0.42
Compound (SMILES): [C-]#[N+]c1ccc(-c2nnc([C@H](Nc3ccc([N+]#[C-])c(Cl)c3CC)[C@@H](C)O)o2)cc1
InChIKey: WSWNGIPQCGUZFW-CWTRNNRKSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 407.86, ALogP 5.59, HBA 5, HBD 2, PSA 79.9, QED 0.52
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: OUQVCOALEJPKPV-DYZYQPBXSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 437.71, ALogP 6.09, HBA 5, HBD 2, PSA 75.54, QED 0.47
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Br)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: HVEDGXJVEPYOOG-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 447.72, ALogP 5.55, HBA 5, HBD 2, PSA 75.54, QED 0.5
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(I)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: LAGXAVFOMGWPLY-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 494.72, ALogP 5.39, HBA 5, HBD 2, PSA 75.54, QED 0.37
Compound (SMILES): [C-]#[N+]c1ccc(-c2nnc([C@@H](CO)Nc3ccc([N+]#[C-])c(Cl)c3C)o2)cc1
InChIKey: DXQRHUGIZBAEFH-MRXNPFEDSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 379.81, ALogP 4.95, HBA 5, HBD 2, PSA 79.9, QED 0.61
Compound (SMILES): C[C@@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1
InChIKey: OEINSZNGYZOOPC-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 466.44, ALogP 3.56, HBA 8, HBD 2, PSA 129.11, QED 0.56
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)c2ccsc12
InChIKey: PPZZVHQGMUTVLB-KPZWWZAWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 401.45, ALogP 4.91, HBA 7, HBD 2, PSA 99.33, QED 0.46
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)O)c2ccsc12
InChIKey: PPZZVHQGMUTVLB-KZULUSFZSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 401.45, ALogP 4.91, HBA 7, HBD 2, PSA 99.33, QED 0.46
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@H](C)O)c2ccsc12
InChIKey: SMGMIIFWYNJKCW-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 394.43, ALogP 5.18, HBA 6, HBD 2, PSA 75.54, QED 0.46
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c2ccsc12
InChIKey: UKWIJKXQZGNZHD-YVEFUNNKSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 376.44, ALogP 5.04, HBA 6, HBD 2, PSA 75.54, QED 0.48
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@@H](C)O)c2ccsc12
InChIKey: SMGMIIFWYNJKCW-PIGZYNQJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 394.43, ALogP 5.18, HBA 6, HBD 2, PSA 75.54, QED 0.46
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c2ccsc12
InChIKey: UKWIJKXQZGNZHD-SJKOYZFVSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 376.44, ALogP 5.04, HBA 6, HBD 2, PSA 75.54, QED 0.48
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(OC(=O)CCC)c3)o2)[C@@H](C)OC(=O)CCC)c(C)c1Cl
InChIKey: KCZSXVBXYLFHAH-PUAOIOHZSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 543, ALogP 6.98, HBA 8, HBD 1, PSA 107.91, QED 0.16
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)CCC)c(Cl)c3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl
InChIKey: AJVPAWQNXAAEPF-IVCQMTBJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 246 nM (pChEMBL 6.610000133514404)
Descriptors: MW 559.45, ALogP 7.49, HBA 8, HBD 1, PSA 107.91, QED 0.15
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C(F)(F)F)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: UBHGKLVUABXZBR-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 436.82, ALogP 5.8, HBA 5, HBD 2, PSA 75.54, QED 0.49
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: IQRVDGXXVDKSKV-WAIKUNEKSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 487.95, ALogP 6.04, HBA 6, HBD 3, PSA 104.64, QED 0.27
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(C)=O)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: KFKVTLDBCPOGSN-CWTRNNRKSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 425.88, ALogP 4.74, HBA 6, HBD 3, PSA 104.64, QED 0.49
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)CCC)cc3)o2)[C@@H](C)O)c(C)c1Cl
InChIKey: ATLQGQUUSLNEAH-SPLOXXLWSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 453.93, ALogP 5.52, HBA 6, HBD 3, PSA 104.64, QED 0.39
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OS(=O)(=O)O)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: ZHIJFNJDRSSNIV-APPDUMDISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 464.89, ALogP 3.96, HBA 8, HBD 3, PSA 139.14, QED 0.35
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(C)=O)cc3)o2)[C@H](C)OC(C)=O)c(C)c1Cl
InChIKey: PXEBUDDLMZEWBA-YEJXKQKISA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 468.9, ALogP 5.28, HBA 8, HBD 1, PSA 107.91, QED 0.28
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)CCC)cc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl
InChIKey: LKTYDICGLDSANZ-SSOJOUAXSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 525.01, ALogP 6.84, HBA 8, HBD 1, PSA 107.91, QED 0.16
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)c4ccccc4)cc3)o2)[C@H](C)OC(=O)c2ccccc2)c(C)c1Cl
InChIKey: UGYLWNRBYPGVEF-KCWXNJEJSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 593.04, ALogP 7.87, HBA 8, HBD 1, PSA 107.91, QED 0.1
Compound (SMILES): [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)[C@H](C)O)c(C)c1Cl
InChIKey: IQRVDGXXVDKSKV-QMHKHESXSA-N
Target: Androgen receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P15207
Assay: Biological Assay: In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.).
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 487.95, ALogP 6.04, HBA 6, HBD 3, PSA 104.64, QED 0.27