lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: AQZITIDJRSGDHD-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 3800 nM (pChEMBL 5.420000076293945)
Descriptors: MW 402.83, ALogP 5.35, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: GYWMWZAYFOVADJ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 436.38, ALogP 5.72, HBA 3, HBD 2, PSA 58.95, QED 0.5
Compound (SMILES): O=C(Nc1ccc(Br)cc1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: DFWQXJGFAXOQFL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 447.28, ALogP 5.46, HBA 3, HBD 2, PSA 58.95, QED 0.55
Compound (SMILES): O=C(Nc1ccc(F)c(F)c1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: WJKIQMLMTOSNHN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 6300 nM (pChEMBL 5.199999809265137)
Descriptors: MW 404.37, ALogP 4.98, HBA 3, HBD 2, PSA 58.95, QED 0.59
Compound (SMILES): CSc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2Cc2ccccc2)cc1
InChIKey: ZLLQSURPQGNPPT-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 3200 nM (pChEMBL 5.5)
Descriptors: MW 414.48, ALogP 5.42, HBA 4, HBD 2, PSA 58.95, QED 0.53
Compound (SMILES): Cc1ccc(NC(=O)Nc2cc(C3CC3C)nn2CC(F)(F)F)cc1
InChIKey: WAWFFWAJABODIS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 352.36, ALogP 4.52, HBA 3, HBD 2, PSA 58.95, QED 0.85
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(CC(F)(F)F)n1
InChIKey: RLVXYFXRWPRDDM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 372.78, ALogP 4.87, HBA 3, HBD 2, PSA 58.95, QED 0.8
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(CC(F)(F)F)n1
InChIKey: TZRXUBZFLCGBEA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 406.33, ALogP 5.23, HBA 3, HBD 2, PSA 58.95, QED 0.68
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(CC(F)(F)F)n1
InChIKey: LKMCYAKQUCOEKN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 356.32, ALogP 4.35, HBA 3, HBD 2, PSA 58.95, QED 0.8
Compound (SMILES): Cc1cc(NC(=O)Nc2cc(C3CC3C)nn2CC(F)(F)F)ccc1F
InChIKey: OZNVAQFXGNOYPW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 370.35, ALogP 4.66, HBA 3, HBD 2, PSA 58.95, QED 0.77
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1
InChIKey: JJGXXKFMWXTDDS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 4900 nM (pChEMBL 5.309999942779541)
Descriptors: MW 374.31, ALogP 4.49, HBA 3, HBD 2, PSA 58.95, QED 0.77
Compound (SMILES): Cc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(C)cc2)cc1
InChIKey: MCNKCVGOXNUIPH-XQWFHAJTSA-N
Target: Transcription factor AP1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05412
Assay: Inhibition of Fos-Jun dimer formation (unknown origin) by EMSA method
Measurement: IC50 = 8980 nM (pChEMBL 5.050000190734863)
Descriptors: MW 304.39, ALogP 5.04, HBA 2, HBD 1, PSA 37.3, QED 0.48
Compound (SMILES): C[C@H]1[C@H](C)CC[C@]2(COC(=O)c3ccccc3C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
InChIKey: WYKKIKDSCYIQQK-XGTDBYKVSA-N
Target: Transcription factor AP1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05412
Assay: Inhibition of Fos-Jun dimer formation (unknown origin) by EMSA method
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 738.96, ALogP 10.12, HBA 6, HBD 2, PSA 127.2, QED 0.21
Compound (SMILES): C[C@H]1[C@H](C)CC[C@]2(COC(=O)c3ccccc3C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@H]12.[Na+].[Na+]
InChIKey: VSJPDPINCQKVMW-BDGGLUIWSA-L
Target: Transcription factor AP1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05412
Assay: Inhibition of Fos-Jun dimer formation (unknown origin) by EMSA method
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 738.96, ALogP 10.12, HBA 6, HBD 2, PSA 127.2, QED 0.21
Compound (SMILES): O=c1c(-c2ccccn2)ccc2n1C[C@@H]1CNC[C@@H]2C1
InChIKey: KYYLXDHQNJJYHK-RYUDHWBXSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Activation of alpha4beta2* nAChR high affinity site (unknown origin) expressed in xenopus oocytes by electrophysiology method
Measurement: EC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 267.33, ALogP 1.62, HBA 4, HBD 1, PSA 46.92, QED 0.85
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@H]1CNC[C@@H]2C1
InChIKey: RNOBTWYQAWEZHH-JGVFFNPUSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12392
Assay: Partial agonist activity at rat alpha3beta4 nAChR
Measurement: Ki = 102 nM (pChEMBL 6.989999771118164)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): O=C(Nc1ccc(Br)cc1)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIKey: VQGKZDJHDAWXSL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 425.33, ALogP 5.94, HBA 3, HBD 2, PSA 58.95, QED 0.54
Compound (SMILES): O=C(Nc1cccc(F)c1)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIKey: KVTKGWLBMWALLE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 364.42, ALogP 5.31, HBA 3, HBD 2, PSA 58.95, QED 0.66
Compound (SMILES): COc1ccc(NC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1
InChIKey: QMLBTRANMVSOKI-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 376.46, ALogP 5.18, HBA 4, HBD 2, PSA 68.18, QED 0.64
Compound (SMILES): Cc1ccc(NC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1
InChIKey: UHPMHJFSPMABIS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 360.46, ALogP 5.48, HBA 3, HBD 2, PSA 58.95, QED 0.65
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIKey: LXXFJBYIPUTEOZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 7000 nM (pChEMBL 5.159999847412109)
Descriptors: MW 380.88, ALogP 5.83, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): Cc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2-c2ccccc2)cc1
InChIKey: XSIZJNIOOVBCEX-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 4100 nM (pChEMBL 5.389999866485596)
Descriptors: MW 368.39, ALogP 4.95, HBA 3, HBD 2, PSA 58.95, QED 0.68
Compound (SMILES): COc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2-c2ccccc2)cc1
InChIKey: TUOHHLXYYCXSDC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 384.39, ALogP 4.65, HBA 4, HBD 2, PSA 68.18, QED 0.67
Compound (SMILES): Cc1cc(NC(=O)Nc2cc(C3CC3(F)F)nn2-c2ccccc2)ccc1F
InChIKey: OPFUTVRZTCWTRC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 386.38, ALogP 5.09, HBA 3, HBD 2, PSA 58.95, QED 0.66
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C2CC2(F)F)nn1-c1ccccc1
InChIKey: MYYXEZYNUOTVSQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 422.36, ALogP 5.66, HBA 3, HBD 2, PSA 58.95, QED 0.53
Compound (SMILES): Cc1cc(NC(=O)Nc2cc(C3(C(F)(F)F)CC3)nn2-c2ccccc2)ccc1F
InChIKey: FGDZDUOUXXUQNC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 418.39, ALogP 5.56, HBA 3, HBD 2, PSA 58.95, QED 0.55
Compound (SMILES): O=C(Nc1ccccc1Cl)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1
InChIKey: FEZNAQIGYBYOPL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 420.82, ALogP 5.76, HBA 3, HBD 2, PSA 58.95, QED 0.56
Compound (SMILES): O=C(Nc1ccccc1Br)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1
InChIKey: ZAHIZIPRWCNRES-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 3200 nM (pChEMBL 5.5)
Descriptors: MW 465.27, ALogP 5.87, HBA 3, HBD 2, PSA 58.95, QED 0.51
Compound (SMILES): O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1
InChIKey: SLYFIGHKISPIJH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 455.27, ALogP 6.42, HBA 3, HBD 2, PSA 58.95, QED 0.48
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1
InChIKey: ULIQTENOXRSMEE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 3500 nM (pChEMBL 5.460000038146973)
Descriptors: MW 454.37, ALogP 6.13, HBA 3, HBD 2, PSA 58.95, QED 0.47
Compound (SMILES): O=C(Nc1ccccc1C(F)(F)F)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1
InChIKey: WBMPGDMASYFORS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 6200 nM (pChEMBL 5.210000038146973)
Descriptors: MW 454.37, ALogP 6.13, HBA 3, HBD 2, PSA 58.95, QED 0.47
Compound (SMILES): O=C(Nc1cccc(Br)c1)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1
InChIKey: JURKAJVGDUFRNH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 4500 nM (pChEMBL 5.349999904632568)
Descriptors: MW 465.27, ALogP 5.87, HBA 3, HBD 2, PSA 58.95, QED 0.51
Compound (SMILES): COc1ccccc1NC(=O)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1
InChIKey: KSNBEOPAVLDAQF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 416.4, ALogP 5.12, HBA 4, HBD 2, PSA 68.18, QED 0.61
Compound (SMILES): CC1(c2cc(NC(=O)Nc3ccc(F)c(F)c3)n(-c3ccccc3)n2)CC1
InChIKey: AHZZRNPXIUXUFU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 368.39, ALogP 4.85, HBA 3, HBD 2, PSA 58.95, QED 0.69
Compound (SMILES): Cc1cc(NC(=O)Nc2cc(C3(C)CC3)nn2-c2ccccc2)ccc1F
InChIKey: XBRDFDHQDNGPAA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 930 nM (pChEMBL 6.03000020980835)
Descriptors: MW 364.42, ALogP 5.02, HBA 3, HBD 2, PSA 58.95, QED 0.68
Compound (SMILES): CC1(c2cc(NC(=O)Nc3cccc(F)c3)n(-c3ccccc3)n2)CC1
InChIKey: LIAFEMWXGYBTML-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 350.4, ALogP 4.71, HBA 3, HBD 2, PSA 58.95, QED 0.72
Compound (SMILES): Cc1ccc(NC(=O)Nc2cc(C3(C)CC3)nn2-c2ccccc2)cc1
InChIKey: OVCOPXWOWOLMKZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 346.43, ALogP 4.88, HBA 3, HBD 2, PSA 58.95, QED 0.71
Compound (SMILES): Cc1cccc(NC(=O)Nc2cc(C3(C)CC3)nn2-c2ccccc2)c1
InChIKey: IJOJWHSJUNWVSC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 346.43, ALogP 4.88, HBA 3, HBD 2, PSA 58.95, QED 0.71
Compound (SMILES): CC1(c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n(-c3ccccc3)n2)CC1
InChIKey: LNTOZVGJRVNTIE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 850 nM (pChEMBL 6.070000171661377)
Descriptors: MW 400.4, ALogP 5.59, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): CC1(c2cc(NC(=O)Nc3ccc(Br)cc3)n(-c3ccccc3)n2)CC1
InChIKey: CZZORSGHIAASJT-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 411.3, ALogP 5.33, HBA 3, HBD 2, PSA 58.95, QED 0.61
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1
InChIKey: QZVZKUFXKQGDGX-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 368.39, ALogP 4.92, HBA 3, HBD 2, PSA 58.95, QED 0.69
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1
InChIKey: PXBRMSLPAQOCCZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 350.4, ALogP 4.78, HBA 3, HBD 2, PSA 58.95, QED 0.71
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1
InChIKey: SOXOMWQCZJSTNP-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 350.4, ALogP 4.78, HBA 3, HBD 2, PSA 58.95, QED 0.71
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1
InChIKey: RNOWZFOOKJOJKE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 366.85, ALogP 5.29, HBA 3, HBD 2, PSA 58.95, QED 0.66
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(Br)c2)n(-c2ccccc2)n1
InChIKey: ODWYWUPYYUEYGH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 411.3, ALogP 5.4, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIKey: YLKDCSFIEDEUOJ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 366.85, ALogP 5.29, HBA 3, HBD 2, PSA 58.95, QED 0.66
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1
InChIKey: QVWLWICBLLCJMQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 411.3, ALogP 5.4, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccccc2Br)n(-c2ccccc2)n1
InChIKey: XJWFYCMGHYJLAU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 411.3, ALogP 5.4, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1
InChIKey: CYFCTSATGJGIQC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 910 nM (pChEMBL 6.039999961853027)
Descriptors: MW 364.42, ALogP 4.84, HBA 3, HBD 2, PSA 58.95, QED 0.68
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(F)c(Cl)c2)n(Cc2ccccc2)n1
InChIKey: YMJPKYNXKLDGMK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 398.87, ALogP 5.49, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(Cl)c2)n(Cc2ccccc2)n1
InChIKey: DFRQBAISHXAVRQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 380.88, ALogP 5.35, HBA 3, HBD 2, PSA 58.95, QED 0.63
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(Br)c2)n(Cc2ccccc2)n1
InChIKey: AVCIPJHPZQGUJB-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 425.33, ALogP 5.46, HBA 3, HBD 2, PSA 58.95, QED 0.57
Compound (SMILES): Cc1cc(NC(=O)Nc2cc(C3CC3C)nn2Cc2ccccc2)ccc1F
InChIKey: FNXACZRTLLGQFQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 378.45, ALogP 5.15, HBA 3, HBD 2, PSA 58.95, QED 0.65
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(Cc2ccccc2)n1
InChIKey: OJUZGODKHWBOBI-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 3900 nM (pChEMBL 5.409999847412109)
Descriptors: MW 380.88, ALogP 5.35, HBA 3, HBD 2, PSA 58.95, QED 0.63
Compound (SMILES): COc1ccc(NC(=O)Nc2cc(C3CC3C)nn2Cc2ccccc2)cc1
InChIKey: SYTFCMROCOQUQX-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 3300 nM (pChEMBL 5.480000019073486)
Descriptors: MW 376.46, ALogP 4.71, HBA 4, HBD 2, PSA 68.18, QED 0.65
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1
InChIKey: SDGQPBBLLYNKGX-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 414.43, ALogP 5.72, HBA 3, HBD 2, PSA 58.95, QED 0.56
Compound (SMILES): COc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2Cc2ccccc2)cc1
InChIKey: MDLCIVNUHGYZLE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 398.41, ALogP 4.71, HBA 4, HBD 2, PSA 68.18, QED 0.63
Compound (SMILES): O=C(Nc1cccc(F)c1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: TUGCMTGUHLKFST-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 920 nM (pChEMBL 6.039999961853027)
Descriptors: MW 386.38, ALogP 4.84, HBA 3, HBD 2, PSA 58.95, QED 0.66
Compound (SMILES): Cc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2Cc2ccccc2)cc1
InChIKey: SWGHJDKSYINUDL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 382.41, ALogP 5.01, HBA 3, HBD 2, PSA 58.95, QED 0.65
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: AQZITIDJRSGDHD-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 3700 nM (pChEMBL 5.429999828338623)
Descriptors: MW 402.83, ALogP 5.35, HBA 3, HBD 2, PSA 58.95, QED 0.6
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: GYWMWZAYFOVADJ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 3800 nM (pChEMBL 5.420000076293945)
Descriptors: MW 436.38, ALogP 5.72, HBA 3, HBD 2, PSA 58.95, QED 0.5
Compound (SMILES): O=C(Nc1ccc(Br)cc1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: DFWQXJGFAXOQFL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 447.28, ALogP 5.46, HBA 3, HBD 2, PSA 58.95, QED 0.55
Compound (SMILES): O=C(Nc1ccc(F)c(F)c1)Nc1cc(C2CC2(F)F)nn1Cc1ccccc1
InChIKey: WJKIQMLMTOSNHN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 404.37, ALogP 4.98, HBA 3, HBD 2, PSA 58.95, QED 0.59
Compound (SMILES): CSc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2Cc2ccccc2)cc1
InChIKey: ZLLQSURPQGNPPT-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 414.48, ALogP 5.42, HBA 4, HBD 2, PSA 58.95, QED 0.53
Compound (SMILES): Cc1ccc(NC(=O)Nc2cc(C3CC3C)nn2CC(F)(F)F)cc1
InChIKey: WAWFFWAJABODIS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 352.36, ALogP 4.52, HBA 3, HBD 2, PSA 58.95, QED 0.85
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(CC(F)(F)F)n1
InChIKey: RLVXYFXRWPRDDM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 372.78, ALogP 4.87, HBA 3, HBD 2, PSA 58.95, QED 0.8
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(CC(F)(F)F)n1
InChIKey: TZRXUBZFLCGBEA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 406.33, ALogP 5.23, HBA 3, HBD 2, PSA 58.95, QED 0.68
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(CC(F)(F)F)n1
InChIKey: LKMCYAKQUCOEKN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 356.32, ALogP 4.35, HBA 3, HBD 2, PSA 58.95, QED 0.8
Compound (SMILES): Cc1cc(NC(=O)Nc2cc(C3CC3C)nn2CC(F)(F)F)ccc1F
InChIKey: OZNVAQFXGNOYPW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 370.35, ALogP 4.66, HBA 3, HBD 2, PSA 58.95, QED 0.77
Compound (SMILES): CC1CC1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1
InChIKey: JJGXXKFMWXTDDS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48549
Assay: Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
Measurement: EC50 = 4900 nM (pChEMBL 5.309999942779541)
Descriptors: MW 374.31, ALogP 4.49, HBA 3, HBD 2, PSA 58.95, QED 0.77
Compound (SMILES): CNC1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIKey: IMYZQPCYWPFTAG-VFXVZZSQSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Non-competitive antagonist activity at alpha4beta2 nAChR (unknown origin)
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 167.3, ALogP 2.42, HBA 1, HBD 1, PSA 12.03, QED 0.63
Compound (SMILES): O=c1c(-c2ccccn2)ccc2n1C[C@@H]1CNC[C@@H]2C1
InChIKey: KYYLXDHQNJJYHK-RYUDHWBXSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Activation of alpha4beta2* nAChR low affinity site (unknown origin) expressed in xenopus oocytes by electrophysiology method
Measurement: EC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 267.33, ALogP 1.62, HBA 4, HBD 1, PSA 46.92, QED 0.85
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@H]1CNC[C@@H]2C1
InChIKey: RNOBTWYQAWEZHH-JGVFFNPUSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12390
Assay: Partial agonist activity at rat alpha4beta2 nAChR
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): Clc1cncc(N2CCCNCC2)c1
InChIKey: LYMBELAAKZROPC-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Partial agonist activity at alpha4beta2 nAChR (unknown origin)
Measurement: Ki = 0.36 nM (pChEMBL 9.4399995803833)
Descriptors: MW 211.7, ALogP 1.53, HBA 3, HBD 1, PSA 28.16, QED 0.76
Compound (SMILES): CNC1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIKey: IMYZQPCYWPFTAG-VFXVZZSQSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P30926
Assay: Non-competitive antagonist activity at alpha3beta4 nAChR (unknown origin)
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 167.3, ALogP 2.42, HBA 1, HBD 1, PSA 12.03, QED 0.63
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIKey: RNOBTWYQAWEZHH-SFYZADRCSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12392
Assay: Partial agonist activity at rat alpha3beta4 nAChR
Measurement: Ki = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): CNC1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIKey: IMYZQPCYWPFTAG-VFXVZZSQSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12392
Assay: Antagonist activity at rat alpha3beta4 nAChRs expressed in HEK293 cells assessed as inhibition of (+/-)-epibatidine-induced Ca+2 influx measured for 90 sec by FLIPR analysis
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 167.3, ALogP 2.42, HBA 1, HBD 1, PSA 12.03, QED 0.63
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIKey: RNOBTWYQAWEZHH-SFYZADRCSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12390
Assay: Partial agonist activity at rat alpha4beta2 nAChR
Measurement: Ki = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): Clc1cncc(N2CCCNCC2)c1
InChIKey: LYMBELAAKZROPC-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Activation of alpha4beta2 nAChR high affinity site (unknown origin) expressed in xenopus oocytes by electrophysiology method
Measurement: EC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 211.7, ALogP 1.53, HBA 3, HBD 1, PSA 28.16, QED 0.76
Compound (SMILES): CNC1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIKey: IMYZQPCYWPFTAG-VFXVZZSQSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P30926
Assay: Antagonist activity at alpha3beta4 nAChRs (unknown origin) assessed as inhibition constant
Measurement: Ki = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 167.3, ALogP 2.42, HBA 1, HBD 1, PSA 12.03, QED 0.63
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIKey: RNOBTWYQAWEZHH-SFYZADRCSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Displacement of [3H] epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells
Measurement: Ki = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): Clc1cncc(N2CCCNCC2)c1
InChIKey: LYMBELAAKZROPC-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Activation of alpha4beta2 nAChR low affinity site (unknown origin) expressed in xenopus oocytes by electrophysiology method
Measurement: EC50 = 604 nM (pChEMBL 6.21999979019165)
Descriptors: MW 211.7, ALogP 1.53, HBA 3, HBD 1, PSA 28.16, QED 0.76
Compound (SMILES): CNC1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIKey: IMYZQPCYWPFTAG-VFXVZZSQSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Antagonist activity at alpha4beta2 nAChRs (unknown origin) assessed as inhibition constant
Measurement: Ki = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 167.3, ALogP 2.42, HBA 1, HBD 1, PSA 12.03, QED 0.63
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIKey: RNOBTWYQAWEZHH-SFYZADRCSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P30926
Assay: Displacement of [3H] epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells
Measurement: Ki = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIKey: RNOBTWYQAWEZHH-SFYZADRCSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P30926
Assay: Partial agonist activity at alpha3beta4 nAChR in HEK293 cells assessed as reduction in Ca+2 influx by FLIPR assy
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1
InChIKey: RNOBTWYQAWEZHH-SFYZADRCSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P17787
Assay: Partial agonist activity at alpha4beta2 nAChR in HEK293 cells assessed as reduction in Ca+2 influx by FLIPR assy
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 227.23, ALogP 2.88, HBA 1, HBD 1, PSA 12.03, QED 0.72
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Eukaryotic translation initiation factor 2-alpha kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BQI3
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Eukaryotic translation initiation factor 5B (SINGLE PROTEIN), Homo sapiens
UniProt: O60841
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd = 202 nM (pChEMBL 6.699999809265137)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-A receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P54764
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-A receptor 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P54756
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-A receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15375
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-B receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29323
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-B receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P54753
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-B receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P54760
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ephrin type-B receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: O15197
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: General transcription and DNA repair factor IIH helicase subunit XPD (SINGLE PROTEIN), Homo sapiens
UniProt: P18074
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q76MJ5
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Electron transfer flavoprotein subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P38117
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Phenylalanine--tRNA ligase beta subunit (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NSD9
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Ferrochelatase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P22830
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Tyrosine-protein kinase Fer (SINGLE PROTEIN), Homo sapiens
UniProt: P16591
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd = 1543 nM (pChEMBL 5.809999942779541)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Tyrosine-protein kinase Fes/Fps (SINGLE PROTEIN), Homo sapiens
UniProt: P07332
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Tyrosine-protein kinase Fgr (SINGLE PROTEIN), Homo sapiens
UniProt: P09769
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Tyrosine-protein kinase FRK (SINGLE PROTEIN), Homo sapiens
UniProt: P42685
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd = 724 nM (pChEMBL 6.139999866485596)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Cyclin-G-associated kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O14976
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47
Compound (SMILES): O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
InChIKey: LCVIRAZGMYMNNT-VVONHTQRSA-N
Target: Glycine--tRNA ligase (SINGLE PROTEIN), Homo sapiens
UniProt: P41250
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.95, ALogP 5.71, HBA 6, HBD 2, PSA 84.34, QED 0.47