lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)no1
InChIKey: HMUCIANDUAOOLC-RDJZCZTQSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
Measurement: IC50 = 1889 nM (pChEMBL 5.71999979019165)
Descriptors: MW 497.95, ALogP 4.49, HBA 6, HBD 2, PSA 93.46, QED 0.5
Compound (SMILES): O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F
InChIKey: VIKCAELOKQWDBV-YJBOKZPZSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 511.95, ALogP 4.73, HBA 5, HBD 2, PSA 80.32, QED 0.48
Compound (SMILES): O=S(=O)(Nc1cccnn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F
InChIKey: VCDXKZOKHMXKHQ-RDJZCZTQSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
Measurement: IC50 = 171 nM (pChEMBL 6.769999980926514)
Descriptors: MW 494.95, ALogP 3.98, HBA 6, HBD 2, PSA 93.21, QED 0.52
Compound (SMILES): O=S(=O)(Nc1ccncn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F
InChIKey: HGVRIBHCYYWMFY-RDJZCZTQSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 494.95, ALogP 3.98, HBA 6, HBD 2, PSA 93.21, QED 0.52
Compound (SMILES): O=S(=O)(Nc1ncccn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F
InChIKey: GUJMFDUXYXYBIE-RDJZCZTQSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 494.95, ALogP 3.98, HBA 6, HBD 2, PSA 93.21, QED 0.52
Compound (SMILES): O=S(=O)(Nc1ncc(F)cn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F
InChIKey: JLXFCNWPMMNUMM-YOEHRIQHSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 512.94, ALogP 4.12, HBA 6, HBD 2, PSA 93.21, QED 0.49
Compound (SMILES): O=S(=O)(Nc1ncc(F)cn1)c1cc(F)c(OC[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1F
InChIKey: JLXFCNWPMMNUMM-RHSMWYFYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 512.94, ALogP 4.12, HBA 6, HBD 2, PSA 93.21, QED 0.49
Compound (SMILES): CNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(Cl)cc4)cn23)cc1
InChIKey: TYMFFISSODJRDV-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of human PI3Kalpha by ADP-Glo kinase assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 419.87, ALogP 3.69, HBA 5, HBD 1, PSA 79.6, QED 0.55
Compound (SMILES): N=C(Nc1cccc(COC[C@@H](CN)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
InChIKey: KEUPBLDQGUHFOB-HSZRJFAPSA-N
Target: Nitric oxide synthase 3 (SINGLE PROTEIN), Bos taurus
UniProt: P29473
Assay: Inhibition of bovine eNOS using L-arginine substrate
Measurement: Ki = 12440 nM (pChEMBL 4.909999847412109)
Descriptors: MW 519.7, ALogP 5.75, HBA 7, HBD 5, PSA 116.24, QED 0.12
Compound (SMILES): N=C(Nc1cccc(COC[C@H](CN)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
InChIKey: KEUPBLDQGUHFOB-QHCPKHFHSA-N
Target: Nitric oxide synthase 3 (SINGLE PROTEIN), Bos taurus
UniProt: P29473
Assay: Inhibition of bovine eNOS using L-arginine substrate
Measurement: Ki = 16680 nM (pChEMBL 4.78000020980835)
Descriptors: MW 519.7, ALogP 5.75, HBA 7, HBD 5, PSA 116.24, QED 0.12
Compound (SMILES): N=C(Nc1cccc(COC[C@@H]2C[C@@H](OCc3cccc(NC(=N)c4cccs4)c3)CN2)c1)c1cccs1
InChIKey: GPVRORSBZUBDJB-LOSJGSFVSA-N
Target: Nitric oxide synthase 3 (SINGLE PROTEIN), Bos taurus
UniProt: P29473
Assay: Inhibition of bovine eNOS using L-arginine substrate
Measurement: Ki = 2470 nM (pChEMBL 5.610000133514404)
Descriptors: MW 545.73, ALogP 6.15, HBA 7, HBD 5, PSA 102.25, QED 0.11
Compound (SMILES): N=C(Nc1cccc(COC[C@H]2C[C@@H](OCc3cccc(NC(=N)c4cccs4)c3)CN2)c1)c1cccs1
InChIKey: GPVRORSBZUBDJB-JWQCQUIFSA-N
Target: Nitric oxide synthase 3 (SINGLE PROTEIN), Bos taurus
UniProt: P29473
Assay: Inhibition of bovine eNOS using L-arginine substrate
Measurement: Ki = 3630 nM (pChEMBL 5.440000057220459)
Descriptors: MW 545.73, ALogP 6.15, HBA 7, HBD 5, PSA 102.25, QED 0.11
Compound (SMILES): N=C(Nc1cccc(COC[C@H]2C[C@H](OCc3cccc(NC(=N)c4cccs4)c3)CN2)c1)c1cccs1
InChIKey: GPVRORSBZUBDJB-RPBOFIJWSA-N
Target: Nitric oxide synthase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P29476
Assay: Inhibition of rat nNOS using L-arginine substrate
Measurement: Ki = 21.4 nM (pChEMBL 7.670000076293945)
Descriptors: MW 545.73, ALogP 6.15, HBA 7, HBD 5, PSA 102.25, QED 0.11
Compound (SMILES): N=C(Nc1cccc(COC[C@@H]2C[C@H](OCc3cccc(NC(=N)c4cccs4)c3)CN2)c1)c1cccs1
InChIKey: GPVRORSBZUBDJB-DQEYMECFSA-N
Target: Nitric oxide synthase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P29476
Assay: Inhibition of rat nNOS using L-arginine substrate
Measurement: Ki = 22.1 nM (pChEMBL 7.659999847412109)
Descriptors: MW 545.73, ALogP 6.15, HBA 7, HBD 5, PSA 102.25, QED 0.11
Compound (SMILES): N=C(Nc1cccc(O[C@H]2CN[C@H](COCc3cccc(F)c3)C2)c1)c1cccs1
InChIKey: POPRLCURNFTBSQ-PZJWPPBQSA-N
Target: Nitric oxide synthase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P29476
Assay: Inhibition of rat nNOS using L-arginine substrate
Measurement: Ki = 68.4 nM (pChEMBL 7.170000076293945)
Descriptors: MW 425.53, ALogP 4.65, HBA 5, HBD 3, PSA 66.37, QED 0.36
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)C(O)CCc1ccc(O)cc1)C(=O)N[C@H](C=O)CCCNC(=N)N
InChIKey: NBAMZGXDVSQHTA-JEWWICQWSA-N
Target: Trypsin (SINGLE PROTEIN), Sus scrofa
UniProt: P00761
Assay: Inhibition of pig pancreas trypsin type IX-S using Boc-Gln-Ala-Arg-MCA substrate by 7-amino-4-methylcoumarin release based spectrofluorometry
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 449.55, ALogP 0.16, HBA 6, HBD 7, PSA 177.63, QED 0.09
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)C(O)CCc1ccc(O)cc1)C(=O)N[C@H](CO)CCCNC(=N)N
InChIKey: NFEXMBMBZZNYQK-JEWWICQWSA-N
Target: Trypsin (SINGLE PROTEIN), Sus scrofa
UniProt: P00761
Assay: Inhibition of pig pancreas trypsin type IX-S using Boc-Gln-Ala-Arg-MCA substrate by 7-amino-4-methylcoumarin release based spectrofluorometry
Measurement: IC50 = 55000 nM (pChEMBL 4.260000228881836)
Descriptors: MW 451.57, ALogP -0.04, HBA 6, HBD 8, PSA 180.79, QED 0.11
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3c(C)n(CC(=O)O)c4ccc(C)cc34)cc2)c1C
InChIKey: UUVDAWSNWMUOLR-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 472.55, ALogP 5.07, HBA 6, HBD 2, PSA 106.22, QED 0.35
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)c(C)c34)cc2)c1C
InChIKey: BBSQELVBWDFXFL-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 272 nM (pChEMBL 6.570000171661377)
Descriptors: MW 472.55, ALogP 5.07, HBA 6, HBD 2, PSA 106.22, QED 0.35
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C
InChIKey: YLVBIMOMDGQUJH-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 472.55, ALogP 5.07, HBA 6, HBD 2, PSA 106.22, QED 0.35
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)OC)c4ccc(C)cc34)cc2)c1C
InChIKey: YKLPWYMECXBZAX-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 472.55, ALogP 4.85, HBA 7, HBD 1, PSA 95.22, QED 0.29
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)c4cc(C)c(C)cc34)cc2)c1C
InChIKey: VUMJXVLBMLBKSZ-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 499.62, ALogP 5.08, HBA 6, HBD 1, PSA 89.23, QED 0.34
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C.Cl
InChIKey: ONBHKLHUYQXFHE-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 554.7, ALogP 4.76, HBA 7, HBD 1, PSA 92.47, QED 0.32
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C.Cl
InChIKey: DZMXUEOBHHOQQD-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 540.67, ALogP 4.45, HBA 7, HBD 1, PSA 92.47, QED 0.33
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CCNC4)c4ccc(C)cc34)cc2)c1C
InChIKey: JSKVQBWLDKBSQH-QFIPXVFZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 526.64, ALogP 4.16, HBA 7, HBD 3, PSA 110.05, QED 0.28
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCNC)c4ccc(C)cc34)cc2)c1C
InChIKey: BSXBEWQFUIMPMF-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 528.66, ALogP 4.36, HBA 7, HBD 2, PSA 101.26, QED 0.28
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN(C)C)c4ccc(C)cc34)cc2)c1C
InChIKey: FVKOJVJLHWEDJS-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 92 nM (pChEMBL 7.039999961853027)
Descriptors: MW 528.66, ALogP 4.36, HBA 7, HBD 2, PSA 101.26, QED 0.28
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN4CCCC4)c4ccc(C)cc34)cc2)c1C
InChIKey: LQVZQNGIKHQFKD-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 194 nM (pChEMBL 6.710000038146973)
Descriptors: MW 554.7, ALogP 4.89, HBA 7, HBD 2, PSA 101.26, QED 0.26
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCN4CCCC4)c4ccc(C)cc34)cc2)c1C
InChIKey: BADWODUALRLBJL-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 124 nM (pChEMBL 6.909999847412109)
Descriptors: MW 568.72, ALogP 5.23, HBA 7, HBD 1, PSA 92.47, QED 0.25
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCn4ccnc4)c4ccc(C)cc34)cc2)c1C
InChIKey: MDGCKRCPNWUDAA-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 551.65, ALogP 4.69, HBA 8, HBD 2, PSA 115.84, QED 0.23
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC(C)CN(C)C)c4ccc(C)cc34)cc2)c1C
InChIKey: UMLQRYMRGSHDNV-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 542.68, ALogP 4.75, HBA 7, HBD 2, PSA 101.26, QED 0.27
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: BNPMHIJZHNZZMT-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 139 nM (pChEMBL 6.860000133514404)
Descriptors: MW 554.7, ALogP 4.89, HBA 7, HBD 2, PSA 101.26, QED 0.29
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C4CCN(C)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: RYRZRENMYITGMU-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 554.7, ALogP 4.84, HBA 7, HBD 1, PSA 92.47, QED 0.3
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: VHCHHMQCTCIXEB-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 554.7, ALogP 4.89, HBA 7, HBD 2, PSA 101.26, QED 0.29
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: WSZRNNLGVAOXKP-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 582.75, ALogP 5.48, HBA 7, HBD 1, PSA 92.47, QED 0.25
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCN(C)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: MAEJHLCDEPWOPH-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 554.7, ALogP 4.84, HBA 7, HBD 1, PSA 92.47, QED 0.31
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: GENRFUBUGXWJNT-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 540.67, ALogP 4.63, HBA 7, HBD 2, PSA 115.25, QED 0.32
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: NRBMBYXILLATME-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 115 nM (pChEMBL 6.940000057220459)
Descriptors: MW 554.7, ALogP 4.89, HBA 7, HBD 2, PSA 101.26, QED 0.29
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: ADOSOODASHKBNS-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 540.67, ALogP 4.5, HBA 7, HBD 2, PSA 101.26, QED 0.3
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: RYRBGIXYFZXZMP-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 554.7, ALogP 4.84, HBA 7, HBD 1, PSA 92.47, QED 0.3
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: FARXMEHYYWMCCY-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 540.67, ALogP 4.63, HBA 7, HBD 2, PSA 115.25, QED 0.32
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(NC)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: CRMMQEVKRVZKCV-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 554.7, ALogP 4.89, HBA 7, HBD 2, PSA 101.26, QED 0.29
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: MQQQMEUUNLSUHC-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 568.72, ALogP 5.23, HBA 7, HBD 1, PSA 92.47, QED 0.28
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN)c4ccc(C)cc34)cc2)c1C
InChIKey: OPMWQKMHURGSRY-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 111 nM (pChEMBL 6.960000038146973)
Descriptors: MW 554.7, ALogP 5.02, HBA 7, HBD 2, PSA 115.25, QED 0.28
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN4CCCC4)c4ccc(C)cc34)cc2)c1C
InChIKey: CCIQVHZGLRYWLM-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 608.79, ALogP 6.16, HBA 7, HBD 1, PSA 92.47, QED 0.22
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCNC5C4)c4ccc(C)cc34)cc2)c1C
InChIKey: WGAPCDSWQVWORV-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 117 nM (pChEMBL 6.929999828338623)
Descriptors: MW 552.68, ALogP 4.5, HBA 7, HBD 2, PSA 101.26, QED 0.31
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCN(C)C5C4)c4ccc(C)cc34)cc2)c1C
InChIKey: WHTRZVJUZVJLBS-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 89 nM (pChEMBL 7.050000190734863)
Descriptors: MW 566.71, ALogP 4.84, HBA 7, HBD 1, PSA 92.47, QED 0.31
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CNCC5C4)c4ccc(C)cc34)cc2)c1C
InChIKey: VEUVZWPUAYFUSI-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 106 nM (pChEMBL 6.96999979019165)
Descriptors: MW 552.68, ALogP 4.36, HBA 7, HBD 2, PSA 101.26, QED 0.32
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CN(C)CC5C4)c4ccc(C)cc34)cc2)c1C
InChIKey: IAAHTPOTCBOKRX-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 566.71, ALogP 4.7, HBA 7, HBD 1, PSA 92.47, QED 0.31
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: QHXPIGIAJMEOJE-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 554.7, ALogP 4.84, HBA 7, HBD 1, PSA 92.47, QED 0.3
Compound (SMILES): CCCCN1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(-n4ncc(C(=O)CCC)c4C)cc3)c3cc(C)ccc32)CC1
InChIKey: NWJAOIZKZJJXKV-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 121 nM (pChEMBL 6.920000076293945)
Descriptors: MW 582.75, ALogP 5.62, HBA 7, HBD 1, PSA 92.47, QED 0.23
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: KKOKADSYNDTGQS-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 570.69, ALogP 3.82, HBA 8, HBD 2, PSA 112.7, QED 0.28
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: GOVHPJGNBJKNDQ-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 584.72, ALogP 4.47, HBA 8, HBD 1, PSA 101.7, QED 0.26
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC5CC5)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: BWXLACRVVOIEGS-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 580.73, ALogP 5.23, HBA 7, HBD 1, PSA 92.47, QED 0.26
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C5CC5)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: WEIOJAZJELWSIH-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 566.71, ALogP 4.99, HBA 7, HBD 1, PSA 92.47, QED 0.29
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCCC5C4)c4ccc(C)cc34)cc2)c1C
InChIKey: CSYLHEUBOVRMNX-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 566.71, ALogP 4.99, HBA 7, HBD 1, PSA 92.47, QED 0.3
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C(C)C)CC4)c4ccc(C)cc34)cc2)c1C
InChIKey: GQEOEKDVKQMUMJ-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 82 nM (pChEMBL 7.090000152587891)
Descriptors: MW 568.72, ALogP 5.23, HBA 7, HBD 1, PSA 92.47, QED 0.28
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNC(C)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: LFFYHIJIYZDTGH-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 540.67, ALogP 4.5, HBA 7, HBD 2, PSA 101.26, QED 0.32
Compound (SMILES): CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)C(C)C4)c4ccc(C)cc34)cc2)c1C
InChIKey: PGESQWKNQQUBOF-UHFFFAOYSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 554.7, ALogP 4.84, HBA 7, HBD 1, PSA 92.47, QED 0.31
Compound (SMILES): CN(C)CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21
InChIKey: GCHBDURRMCNJKO-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21554
Assay: Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in HEK293 cell membranes measured after 90 mins
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 416.27, ALogP 5.51, HBA 3, HBD 0, PSA 21.06, QED 0.55
Compound (SMILES): Cc1nn(-c2ccccc2Cl)c2c1C(=O)CC(C)(C)C2
InChIKey: HWRQQUXYXHLFNV-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 2280 nM (pChEMBL 5.639999866485596)
Descriptors: MW 288.78, ALogP 3.99, HBA 3, HBD 0, PSA 34.89, QED 0.8
Compound (SMILES): Cc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)C2
InChIKey: SMBNLMLYUWLSHO-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 254.33, ALogP 3.34, HBA 3, HBD 0, PSA 34.89, QED 0.78
Compound (SMILES): Cc1nn(-c2cccc(Cl)c2)c2c1C(=O)CC(C)(C)C2
InChIKey: RSJMDMYXRFAQCL-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 288.78, ALogP 3.99, HBA 3, HBD 0, PSA 34.89, QED 0.8
Compound (SMILES): Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)CC(C)(C)C2
InChIKey: SHHVTGNUGXUBKP-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 13600 nM (pChEMBL 4.869999885559082)
Descriptors: MW 288.78, ALogP 3.99, HBA 3, HBD 0, PSA 34.89, QED 0.8
Compound (SMILES): Cc1nn(-c2ccccc2Br)c2c1C(=O)CC(C)(C)C2
InChIKey: QZKVNWJOPNSWQX-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 1120 nM (pChEMBL 5.949999809265137)
Descriptors: MW 333.23, ALogP 4.1, HBA 3, HBD 0, PSA 34.89, QED 0.79
Compound (SMILES): Cc1nn(-c2ccc(Br)cc2)c2c1C(=O)CC(C)(C)C2
InChIKey: PIXUIACSVOPXCM-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 9910 nM (pChEMBL 5)
Descriptors: MW 333.23, ALogP 4.1, HBA 3, HBD 0, PSA 34.89, QED 0.79
Compound (SMILES): Cc1ccccc1-n1nc(C)c2c1CC(C)(C)CC2=O
InChIKey: CEQHOPZYRCRTMN-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 4720 nM (pChEMBL 5.329999923706055)
Descriptors: MW 268.36, ALogP 3.64, HBA 3, HBD 0, PSA 34.89, QED 0.79
Compound (SMILES): CCc1ccccc1-n1nc(C)c2c1CC(C)(C)CC2=O
InChIKey: JIAJBINLEDNMJU-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 19000 nM (pChEMBL 4.71999979019165)
Descriptors: MW 282.39, ALogP 3.9, HBA 3, HBD 0, PSA 34.89, QED 0.84
Compound (SMILES): COc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)cc1
InChIKey: SIEMMYUIIJKHLU-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 18400 nM (pChEMBL 4.739999771118164)
Descriptors: MW 284.36, ALogP 3.34, HBA 4, HBD 0, PSA 44.12, QED 0.85
Compound (SMILES): CCOC(=O)c1ccccc1-n1nc(C)c2c1CC(C)(C)CC2=O
InChIKey: XDIFSYAQXYESOU-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 30200 nM (pChEMBL 4.519999980926514)
Descriptors: MW 326.4, ALogP 3.51, HBA 5, HBD 0, PSA 61.19, QED 0.81
Compound (SMILES): COC(=O)c1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)cc1
InChIKey: YECFXTYKISJUAQ-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 312.37, ALogP 3.12, HBA 5, HBD 0, PSA 61.19, QED 0.8
Compound (SMILES): Cc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)c(C)c1
InChIKey: ZLSFRTASDHSFNL-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33535
Assay: Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins
Measurement: Ki = 3930 nM (pChEMBL 5.409999847412109)
Descriptors: MW 282.39, ALogP 3.95, HBA 3, HBD 0, PSA 34.89, QED 0.79
Compound (SMILES): Cc1cccc(-n2nc(C)c3c2CC(C)(C)CC3=O)c1C
InChIKey: NFVHRLRUUHMURS-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 8900 nM (pChEMBL 5.050000190734863)
Descriptors: MW 282.39, ALogP 3.95, HBA 3, HBD 0, PSA 34.89, QED 0.79
Compound (SMILES): Cc1ccc(C)c(-n2nc(C)c3c2CC(C)(C)CC3=O)c1
InChIKey: AYRXEJUQWKOIOP-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 282.39, ALogP 3.95, HBA 3, HBD 0, PSA 34.89, QED 0.79
Compound (SMILES): Cc1cc(Cl)ccc1-n1nc(C)c2c1CC(C)(C)CC2=O
InChIKey: YIZANQZQNWTPOP-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33535
Assay: Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 302.8, ALogP 4.3, HBA 3, HBD 0, PSA 34.89, QED 0.79
Compound (SMILES): Cc1nn(-c2ccc(F)cc2F)c2c1C(=O)CC(C)(C)C2
InChIKey: BHXNMZDOBYDSLX-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 10300 nM (pChEMBL 4.989999771118164)
Descriptors: MW 290.31, ALogP 3.61, HBA 3, HBD 0, PSA 34.89, QED 0.8
Compound (SMILES): Cc1nn(-c2cc(Cl)ccc2Cl)c2c1C(=O)CC(C)(C)C2
InChIKey: OEBDLWOHYYZOBD-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 2890 nM (pChEMBL 5.539999961853027)
Descriptors: MW 323.22, ALogP 4.64, HBA 3, HBD 0, PSA 34.89, QED 0.77
Compound (SMILES): Cc1nn(-c2ccc(Cl)cc2Cl)c2c1C(=O)CC(C)(C)C2
InChIKey: MXIFDEWABPGBOL-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by HTRF assay
Measurement: IC50 = 7890 nM (pChEMBL 5.099999904632568)
Descriptors: MW 323.22, ALogP 4.64, HBA 3, HBD 0, PSA 34.89, QED 0.77
Compound (SMILES): Cc1nn(-c2ccc(Br)cc2Br)c2c1C(=O)CC(C)(C)C2
InChIKey: IXQVTUGHVSDDBK-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by HTRF assay
Measurement: IC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 412.12, ALogP 4.86, HBA 3, HBD 0, PSA 34.89, QED 0.67
Compound (SMILES): Cc1nn(-c2ccc(Cl)cc2Br)c2c1C(=O)CC(C)(C)C2
InChIKey: FBBHGPDDCYKEJF-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by HTRF assay
Measurement: IC50 = 3300 nM (pChEMBL 5.480000019073486)
Descriptors: MW 367.67, ALogP 4.75, HBA 3, HBD 0, PSA 34.89, QED 0.73
Compound (SMILES): Cc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)c(Br)c1
InChIKey: NQJOKWLIXAPJRW-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by HTRF assay
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 347.26, ALogP 4.41, HBA 3, HBD 0, PSA 34.89, QED 0.77
Compound (SMILES): Cc1nn(-c2ccc(Cl)cc2Cl)c2c1C(=O)CCC2
InChIKey: PTLGLJSTYKQNEY-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 13600 nM (pChEMBL 4.869999885559082)
Descriptors: MW 295.17, ALogP 4.01, HBA 3, HBD 0, PSA 34.89, QED 0.8
Compound (SMILES): CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3Cl)c2C1
InChIKey: LCJMHYUOSFBKDY-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
Measurement: EC50 = 1540 nM (pChEMBL 5.809999942779541)
Descriptors: MW 377.19, ALogP 5.35, HBA 3, HBD 0, PSA 34.89, QED 0.67
Compound (SMILES): CC1(C)CC(=O)c2c(C3CC3)nn(-c3ccc(Cl)cc3Cl)c2C1
InChIKey: MXTSGGCTZUXABK-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33535
Assay: Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins
Measurement: Ki = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 349.26, ALogP 5.21, HBA 3, HBD 0, PSA 34.89, QED 0.75
Compound (SMILES): COC(=O)[C@]12CC[C@@H](C(C)=O)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
InChIKey: ZHIVKEAQDLRABF-FZFNOLFKSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Bos taurus
UniProt: P00921
Assay: Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay
Measurement: Ki > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 472.71, ALogP 6.19, HBA 4, HBD 1, PSA 63.6, QED 0.49
Compound (SMILES): COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
InChIKey: SCDFHIKTAWIANR-QLTLHDMSSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Bos taurus
UniProt: P00921
Assay: Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 484.72, ALogP 6.36, HBA 4, HBD 1, PSA 63.6, QED 0.44
Compound (SMILES): COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
InChIKey: QBKHEWJRNZOPNN-JBYJGCOVSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Bos taurus
UniProt: P00921
Assay: Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay
Measurement: Ki = 308 nM (pChEMBL 6.510000228881836)
Descriptors: MW 549.82, ALogP 6.55, HBA 5, HBD 1, PSA 95.69, QED 0.32
Compound (SMILES): COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
InChIKey: OPOZMXQAPOYNQV-QHQGJMPNSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Bos taurus
UniProt: P00921
Assay: Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay
Measurement: Ki = 1110 nM (pChEMBL 5.960000038146973)
Descriptors: MW 549.82, ALogP 6.41, HBA 5, HBD 1, PSA 95.69, QED 0.32
Compound (SMILES): C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChIKey: QJTLCLPGVHMWAK-JVRMVBBZSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Bos taurus
UniProt: P00921
Assay: Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay
Measurement: Ki = 2160 nM (pChEMBL 5.670000076293945)
Descriptors: MW 549.82, ALogP 6.41, HBA 5, HBD 1, PSA 95.69, QED 0.32
Compound (SMILES): COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey: DNTDBPHBTDWBQP-BDANYOJNSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Bos taurus
UniProt: P00921
Assay: Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay
Measurement: Ki = 1510 nM (pChEMBL 5.820000171661377)
Descriptors: MW 563.8, ALogP 5.73, HBA 6, HBD 1, PSA 112.76, QED 0.44
Compound (SMILES): Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1/C=N/Nc1nc2ccccc2nc1O
InChIKey: UEVINHQDOKZMCM-PCLIKHOPSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 assessed as reduction in PGH2 production using arachidonic acid substrate by enzyme immunoassay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 442.53, ALogP 3.03, HBA 9, HBD 2, PSA 94.7, QED 0.36
Compound (SMILES): Cc1nn(-c2ccccc2)c(OC2CCCC2)c1/C=N/Nc1nc2ccccc2nc1O
InChIKey: NZGOUMAHKNZUIT-MFKUBSTISA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 assessed as reduction in PGH2 production using arachidonic acid substrate by enzyme immunoassay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 428.5, ALogP 4.6, HBA 8, HBD 2, PSA 97.45, QED 0.34
Compound (SMILES): Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nc2ccccc2nc1O
InChIKey: WWNUJJQXWCKCJX-LPYMAVHISA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 assessed as reduction in PGH2 production using arachidonic acid substrate by enzyme immunoassay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 387.45, ALogP 3.34, HBA 8, HBD 2, PSA 91.46, QED 0.4
Compound (SMILES): CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F.Cl
InChIKey: ZCZAWNIQCXQZKW-DMLYUBSXSA-N
Target: 2-acylglycerol O-acyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3SYC2
Assay: Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS analysis
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 431.44, ALogP 2.16, HBA 6, HBD 2, PSA 89.55, QED 0.7
Compound (SMILES): C[C@@H](NS(C)(=O)=O)c1ccc(CNCC2COc3ccccc3N2)cc1.Cl
InChIKey: MPUVBOQLDZYXFI-JOZUQTIUSA-N
Target: 2-acylglycerol O-acyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3SYC2
Assay: Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS analysis
Measurement: IC50 = 479 nM (pChEMBL 6.320000171661377)
Descriptors: MW 375.49, ALogP 2.26, HBA 5, HBD 3, PSA 79.46, QED 0.69
Compound (SMILES): C[C@@H](NS(C)(=O)=O)c1ccc(CNC2CCN(c3ccccc3)C2)cc1.Cl
InChIKey: ZPGGQCIFVAJBTQ-HDOFKVMESA-N
Target: 2-acylglycerol O-acyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3SYC2
Assay: Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS analysis
Measurement: IC50 = 105 nM (pChEMBL 6.980000019073486)
Descriptors: MW 373.52, ALogP 2.67, HBA 4, HBD 2, PSA 61.44, QED 0.78
Compound (SMILES): C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@@H]2CO[C@@H](c3ccccc3)CO2)cc1.Cl
InChIKey: UQEAUPNWJPYWBB-GPCMIKKWSA-N
Target: 2-acylglycerol O-acyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3SYC2
Assay: Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS analysis
Measurement: IC50 = 294 nM (pChEMBL 6.53000020980835)
Descriptors: MW 404.53, ALogP 2.54, HBA 5, HBD 2, PSA 76.66, QED 0.71
Compound (SMILES): Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1
InChIKey: IGBFRJGBHUMYIT-UHFFFAOYSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P51449
Assay: Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay
Measurement: Kd = 18 nM (pChEMBL 7.75)
Descriptors: MW 508.84, ALogP 6.8, HBA 4, HBD 1, PSA 50.94, QED 0.27
Compound (SMILES): OC(c1ccncc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1
InChIKey: IHLATMKKENEVMM-UHFFFAOYSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P51449
Assay: Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay
Measurement: Kd = 0.83 nM (pChEMBL 9.079999923706055)
Descriptors: MW 512.85, ALogP 6.92, HBA 5, HBD 1, PSA 58.9, QED 0.26
Compound (SMILES): Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)c2c1
InChIKey: WHRLSFGQEUBSBY-UHFFFAOYSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P51449
Assay: Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay
Measurement: Kd = 0.71 nM (pChEMBL 9.149999618530273)
Descriptors: MW 590.57, ALogP 5.19, HBA 9, HBD 1, PSA 129.23, QED 0.28
Compound (SMILES): CN(C)[C@]1(c2ccccc2)CC[C@@](O)(c2ccccc2)CC1
InChIKey: JUUXBSSXSLHJHP-BGYRXZFFSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins
Measurement: Ki = 205 nM (pChEMBL 6.690000057220459)
Descriptors: MW 295.43, ALogP 3.91, HBA 2, HBD 1, PSA 23.47, QED 0.93
Compound (SMILES): CN(C)[C@]1(c2ccccc2)CC[C@@](O)(Cc2ccccc2)CC1.Cl
InChIKey: GYHBBZQJMQAXEE-XKFLBXONSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins
Measurement: Ki = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 309.45, ALogP 3.99, HBA 2, HBD 1, PSA 23.47, QED 0.92
Compound (SMILES): CN(C)[C@]1(c2ccccc2)CC[C@@](O)(CCc2ccccc2)CC1.Cl
InChIKey: SMYCVBFCVBQSTI-WHXBIKBMSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins
Measurement: Ki = 4.4 nM (pChEMBL 8.359999656677246)
Descriptors: MW 323.48, ALogP 4.38, HBA 2, HBD 1, PSA 23.47, QED 0.88
Compound (SMILES): CN(C)[C@]1(c2ccccc2)CC[C@@H](OCc2ccccc2)CC1.Cl
InChIKey: VEMHTZKVFHEIDQ-HBUVDCARSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins
Measurement: Ki = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 309.45, ALogP 4.6, HBA 2, HBD 0, PSA 12.47, QED 0.8
Compound (SMILES): CN(C)[C@]1(c2ccccc2)CC[C@H](OCc2ccccc2)CC1.Cl
InChIKey: VEMHTZKVFHEIDQ-XKFLBXONSA-N
Target: Nociceptin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41146
Assay: Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins
Measurement: Ki = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 309.45, ALogP 4.6, HBA 2, HBD 0, PSA 12.47, QED 0.8