lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1
InChIKey: UQFRSHRWRKYNDE-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51812
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 513.52, ALogP 6.94, HBA 6, HBD 2, PSA 67.66, QED 0.36
Compound (SMILES): O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIKey: XLQGAYZYFHQOIR-LJQANCHMSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 194 nM (pChEMBL 6.710000038146973)
Descriptors: MW 485.55, ALogP 3.95, HBA 5, HBD 2, PSA 79.9, QED 0.49
Compound (SMILES): O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIKey: GXSRBNHUUSSGMZ-SHQCIBLASA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 3520 nM (pChEMBL 5.449999809265137)
Descriptors: MW 561.65, ALogP 5.69, HBA 5, HBD 2, PSA 79.9, QED 0.37
Compound (SMILES): CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIKey: BVNIEHLGKBDVDH-GGAORHGYSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 591.69, ALogP 3.75, HBA 7, HBD 2, PSA 114.04, QED 0.36
Compound (SMILES): CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIKey: BVNIEHLGKBDVDH-FYYLOGMGSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 1520 nM (pChEMBL 5.820000171661377)
Descriptors: MW 591.69, ALogP 3.75, HBA 7, HBD 2, PSA 114.04, QED 0.36
Compound (SMILES): C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1
InChIKey: ISASYAAYECPXSH-PKOBYXMFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of cathepsin K
Measurement: Ki = 3706 nM (pChEMBL 5.429999828338623)
Descriptors: MW 485.55, ALogP 3.95, HBA 5, HBD 2, PSA 79.9, QED 0.52
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1
InChIKey: SGUFQZKYBCMRLX-NFBKMPQASA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 8990 nM (pChEMBL 5.050000190734863)
Descriptors: MW 513.6, ALogP 4.58, HBA 5, HBD 2, PSA 79.9, QED 0.45
Compound (SMILES): CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1
InChIKey: UVFDJIMGWCMLGE-IRLDBZIGSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 2678 nM (pChEMBL 5.570000171661377)
Descriptors: MW 513.6, ALogP 4.73, HBA 5, HBD 2, PSA 79.9, QED 0.42
Compound (SMILES): C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1
InChIKey: CWXIAWHWURXDDU-PZJWPPBQSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of cathepsin K
Measurement: Ki = 3706 nM (pChEMBL 5.429999828338623)
Descriptors: MW 513.6, ALogP 4.73, HBA 5, HBD 2, PSA 79.9, QED 0.45
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1
InChIKey: NWYVKJJBDUXGPW-ZJSXRUAMSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 777 nM (pChEMBL 6.110000133514404)
Descriptors: MW 527.63, ALogP 4.97, HBA 5, HBD 2, PSA 79.9, QED 0.4
Compound (SMILES): O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1
InChIKey: UDGAOZLPEBAUEM-IAPPQJPRSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 2310 nM (pChEMBL 5.639999866485596)
Descriptors: MW 589.7, ALogP 5.95, HBA 5, HBD 2, PSA 79.9, QED 0.28
Compound (SMILES): C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C
InChIKey: AGNOSSPYAKPBTN-IRXDYDNUSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of cathepsin K
Measurement: Ki = 2331 nM (pChEMBL 5.630000114440918)
Descriptors: MW 473.54, ALogP 3.8, HBA 5, HBD 2, PSA 79.9, QED 0.57
Compound (SMILES): C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1
InChIKey: GFEIJHATAPBSQT-ZWKOTPCHSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 487.56, ALogP 4.19, HBA 5, HBD 2, PSA 79.9, QED 0.52
Compound (SMILES): C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
InChIKey: RGGPAFKPWNQIJQ-SIKLNZKXSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 8860 nM (pChEMBL 5.050000190734863)
Descriptors: MW 453.56, ALogP 2.8, HBA 4, HBD 1, PSA 61.88, QED 0.67
Compound (SMILES): CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1
InChIKey: CHTFNMSXYMATRD-YADHBBJMSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 588 nM (pChEMBL 6.230000019073486)
Descriptors: MW 521.58, ALogP 4.39, HBA 5, HBD 2, PSA 79.9, QED 0.43
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1
InChIKey: JPFKZQDIUQZZNY-RCZVLFRGSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 372 nM (pChEMBL 6.429999828338623)
Descriptors: MW 535.61, ALogP 4.64, HBA 5, HBD 2, PSA 79.9, QED 0.41
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1
InChIKey: ICMOGVUCPZRKGU-ZEQKJWHPSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 197 nM (pChEMBL 6.710000038146973)
Descriptors: MW 549.63, ALogP 5.03, HBA 5, HBD 2, PSA 79.9, QED 0.37
Compound (SMILES): O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1
InChIKey: JTBLZWCKXWPBNR-XCZPVHLTSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 3936 nM (pChEMBL 5.409999847412109)
Descriptors: MW 569.62, ALogP 5.15, HBA 5, HBD 2, PSA 79.9, QED 0.32
Compound (SMILES): O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1
InChIKey: PSBWTPWDDHNYPT-IZZNHLLZSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 48370 nM (pChEMBL 4.320000171661377)
Descriptors: MW 541.57, ALogP 4.89, HBA 5, HBD 2, PSA 79.9, QED 0.38
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1
InChIKey: CNJNVNZFKGRALN-XZOQPEGZSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 11530 nM (pChEMBL 4.940000057220459)
Descriptors: MW 507.55, ALogP 4.17, HBA 5, HBD 2, PSA 79.9, QED 0.5
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1
InChIKey: KJAHPFVPXUFAGF-XZOQPEGZSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki = 11530 nM (pChEMBL 4.940000057220459)
Descriptors: MW 525.54, ALogP 4.31, HBA 5, HBD 2, PSA 79.9, QED 0.45
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIKey: WJVNWVPAGDRBSY-XZOQPEGZSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 542, ALogP 4.82, HBA 5, HBD 2, PSA 79.9, QED 0.45
Compound (SMILES): COc1ccc([C@H](CC(=O)N2CCOCC2)C(=O)N[C@H](CNc2ccc(OC(F)(F)F)cc2)C(C)C)cc1
InChIKey: FBLAHLSPEPOPEB-BJKOFHAPSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki > 65000 nM (pChEMBL 4.186999797821045)
Descriptors: MW 537.58, ALogP 4.18, HBA 6, HBD 2, PSA 89.13, QED 0.45
Compound (SMILES): Cc1ccc([C@H](CC(=O)N2CCOCC2)C(=O)N[C@H](CNc2ccc(OC(F)(F)F)cc2)C(C)C)cc1
InChIKey: DGYZBMMOVGHABN-BJKOFHAPSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 134 nM (pChEMBL 6.869999885559082)
Descriptors: MW 521.58, ALogP 4.48, HBA 5, HBD 2, PSA 79.9, QED 0.48
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIKey: RDZCAQUTTHHOFB-XZOQPEGZSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 575.55, ALogP 5.19, HBA 5, HBD 2, PSA 79.9, QED 0.38
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIKey: VFIINNXDHUALJV-XZOQPEGZSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 18530 nM (pChEMBL 4.730000019073486)
Descriptors: MW 575.55, ALogP 5.19, HBA 5, HBD 2, PSA 79.9, QED 0.38
Compound (SMILES): CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1C(F)(F)F
InChIKey: UPHPOJUBQMILJG-JTHBVZDNSA-N
Target: Procathepsin L (SINGLE PROTEIN), Homo sapiens
UniProt: P07711
Assay: Inhibition of cathepsin L
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 575.55, ALogP 5.19, HBA 5, HBD 2, PSA 79.9, QED 0.38
Compound (SMILES): C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIKey: WVXJSILFDKEKGC-KKSFZXQISA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 1590 nM (pChEMBL 5.800000190734863)
Descriptors: MW 547.5, ALogP 4.55, HBA 5, HBD 2, PSA 79.9, QED 0.45
Compound (SMILES): O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)C1CC1)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIKey: SCMZSMNINRMDKK-XZOQPEGZSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 616 nM (pChEMBL 6.210000038146973)
Descriptors: MW 573.53, ALogP 4.94, HBA 5, HBD 2, PSA 79.9, QED 0.39
Compound (SMILES): O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIKey: LCNDBRZXONXLLV-FQEVSTJZSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Inhibition of cathepsin S
Measurement: Ki = 15600 nM (pChEMBL 4.809999942779541)
Descriptors: MW 533.47, ALogP 4.16, HBA 5, HBD 2, PSA 79.9, QED 0.37
Compound (SMILES): Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1
InChIKey: ZIGBEENSXYZRST-WQLSENKSSA-N
Target: ATP-dependent DNA helicase Q1 (SINGLE PROTEIN), Homo sapiens
UniProt: P46063
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 427.3, ALogP 3.3, HBA 5, HBD 1, PSA 88.74, QED 0.76
Compound (SMILES): N=C(N)N/N=C/c1ccccc1OCc1ccc(Cl)cc1
InChIKey: QLZIJPLTRJOVDN-DJKKODMXSA-N
Target: C-C chemokine receptor type 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P51681
Assay: Displacement of [125I]MIP1-alpha from human CCR5/CD4 expressed in HEK293 cells
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 302.76, ALogP 2.74, HBA 3, HBD 3, PSA 83.49, QED 0.45
Compound (SMILES): COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1
InChIKey: GNLVRKKIIIVZHZ-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase-mediated thymidine incorporation into D23/D36 primer-template preincubated for 15 mins by polyacrylamide gel-electrophoresis
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 396.31, ALogP 3.39, HBA 4, HBD 2, PSA 55.41, QED 0.73
Compound (SMILES): O=C([C@@H]1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1)N1CCSC1
InChIKey: ZHJLERMYNKCYGH-IRXDYDNUSA-N
Target: Dipeptidyl peptidase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6V1X1
Assay: Inhibition of human recombinant DPP8 using Gly-Pro-MCA as substrate after 30 mins by fluorometry
Measurement: IC50 = 12.2 nM (pChEMBL 7.909999847412109)
Descriptors: MW 391.5, ALogP 0.98, HBA 7, HBD 1, PSA 81.96, QED 0.61
Compound (SMILES): N#Cc1ccc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)nc1
InChIKey: IQCXFICIUMLNPY-HOTGVXAUSA-N
Target: Dipeptidyl peptidase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P27487
Assay: Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 372.5, ALogP 0.34, HBA 7, HBD 1, PSA 75.5, QED 0.82
Compound (SMILES): Cn1cnc(NCc2cccnc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: AXDBDJYWZREUEN-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1cnc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: HMJUXIMNHMHOPH-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 432.4, ALogP 4.07, HBA 6, HBD 2, PSA 77.41, QED 0.61
Compound (SMILES): Cn1cnc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: BPKFWXHEWJBXSS-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 432.4, ALogP 4.07, HBA 6, HBD 2, PSA 77.41, QED 0.61
Compound (SMILES): Cn1cnc(NCc2cccnc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: RFFINXLCCJZRDQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: YPRPVGHSVKPNAX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: GQBONCYQEFXYJX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 9600 nM (pChEMBL 5.019999980926514)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIKey: LZVWFFXHOYOAET-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIKey: ZZPFELDPNUPEOD-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)cc1
InChIKey: IVDPKMYSAYEHSO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cccc(Cl)c1
InChIKey: SYKLWGGCVRAADQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIKey: GRWWMWQTKFKHLE-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 363.47, ALogP 3.98, HBA 5, HBD 2, PSA 71.84, QED 0.72
Compound (SMILES): CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1
InChIKey: CEDYKRBCAXLBBQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 349.44, ALogP 3.8, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIKey: LTXNZHKYXXSYPY-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 383.46, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.52
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIKey: LZZDSIASSRHHCC-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 399.45, ALogP 4.47, HBA 6, HBD 2, PSA 81.07, QED 0.48
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIKey: CEIJGXADGDLWQX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 397.48, ALogP 4.27, HBA 5, HBD 2, PSA 71.84, QED 0.49
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cnc2ccccc2c1
InChIKey: HLIHZLFNMDYORN-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 920 nM (pChEMBL 6.039999961853027)
Descriptors: MW 358.41, ALogP 3.23, HBA 6, HBD 2, PSA 84.73, QED 0.57
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)cn1
InChIKey: PABZJFZRAJANGX-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 359.4, ALogP 3.98, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1
InChIKey: STAZSACUQPAKDP-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 359.4, ALogP 3.98, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1
InChIKey: BPSGUTHNLYFYMX-OWOJBTEDSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)nc1
InChIKey: VJDPPNNCFURYHW-FPYGCLRLSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1cccc(F)c1
InChIKey: GEDVVWSAYINLFO-RMKNXTFCSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F
InChIKey: HCQGGYRWBPHDIG-JXMROGBWSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1
InChIKey: ANNXZFGXMGNRDN-DHZHZOJOSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 339.39, ALogP 4.22, HBA 3, HBD 0, PSA 47.03, QED 0.71
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccccc2F)nc1)c1ccccc1F
InChIKey: AMJJFRAHQZYBJE-MDZDMXLPSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2cccc(F)c2)nc1)c1ccccc1F
InChIKey: NHBSENMOHAEDAT-CMDGGOBGSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccncc2)nc1)c1ccccc1F
InChIKey: QALZHYNSPGJGIB-AATRIKPKSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 340.38, ALogP 3.62, HBA 4, HBD 0, PSA 59.92, QED 0.73
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIKey: PNIRAOQLYCRNSM-SOFGYWHQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 375.37, ALogP 4.5, HBA 3, HBD 0, PSA 47.03, QED 0.67
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2Cl)nc1)c1ccccc1F
InChIKey: AGNKOCOPBGDROC-SOFGYWHQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 391.83, ALogP 5.02, HBA 3, HBD 0, PSA 47.03, QED 0.63
Compound (SMILES): Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1
InChIKey: XRIYQJQTBYCRKS-VQHVLOKHSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 371.41, ALogP 4.67, HBA 3, HBD 0, PSA 47.03, QED 0.67
Compound (SMILES): N#Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1
InChIKey: WKFCBROSCKHSNN-SOFGYWHQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 382.39, ALogP 4.23, HBA 4, HBD 0, PSA 70.82, QED 0.68
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F
InChIKey: QMVRSBUQOIXYIF-SOFGYWHQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 373.38, ALogP 4.07, HBA 4, HBD 1, PSA 67.26, QED 0.75
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccccc2O)nc1)c1ccccc1F
InChIKey: YNXMRPPJUWZMOJ-MDZDMXLPSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 355.39, ALogP 3.93, HBA 4, HBD 1, PSA 67.26, QED 0.77
Compound (SMILES): COc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1
InChIKey: KWUCWCAVKSOOTH-VQHVLOKHSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 387.41, ALogP 4.37, HBA 4, HBD 0, PSA 56.26, QED 0.65
Compound (SMILES): [O-][S+](c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F
InChIKey: YRQCJPSWALKIBN-JXMROGBWSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 341.38, ALogP 4.7, HBA 2, HBD 0, PSA 35.95, QED 0.65
Compound (SMILES): [O-][S+](c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIKey: OORCBDUKAGBPKM-SOFGYWHQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 359.37, ALogP 4.84, HBA 2, HBD 0, PSA 35.95, QED 0.63
Compound (SMILES): [O-][S+](c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1
InChIKey: YFWOOEBYKGJCJO-DHZHZOJOSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 323.39, ALogP 4.56, HBA 2, HBD 0, PSA 35.95, QED 0.66
Compound (SMILES): [O-][S+](c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1
InChIKey: DLASHKPJUVPKQY-VQHVLOKHSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 341.38, ALogP 4.7, HBA 2, HBD 0, PSA 35.95, QED 0.65
Compound (SMILES): COc1cccc(C2=NCCc3c2[nH]c2ccccc32)c1
InChIKey: OOQVRZODYJGIGC-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 31000 nM (pChEMBL 4.510000228881836)
Descriptors: MW 276.34, ALogP 3.57, HBA 2, HBD 1, PSA 37.38, QED 0.76
Compound (SMILES): Oc1cccc(C2NCCc3c2[nH]c2ccccc32)c1
InChIKey: PBHDVNKOSVXBHD-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 88000 nM (pChEMBL 4.059999942779541)
Descriptors: MW 264.33, ALogP 3.11, HBA 2, HBD 3, PSA 48.05, QED 0.63
Compound (SMILES): COc1cccc(C2=NCCc3c2[nH]c2ccc(OC)cc32)c1
InChIKey: LGJFIMWHIPCVAQ-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 25000 nM (pChEMBL 4.599999904632568)
Descriptors: MW 306.37, ALogP 3.58, HBA 3, HBD 1, PSA 46.61, QED 0.8
Compound (SMILES): COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1
InChIKey: RVMXCARDLOKQQD-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 322.41, ALogP 3.61, HBA 3, HBD 2, PSA 46.28, QED 0.77
Compound (SMILES): COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc2c(c1)OCO2
InChIKey: GSJJDYOIKNLJCL-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 336.39, ALogP 3.33, HBA 4, HBD 2, PSA 55.51, QED 0.77
Compound (SMILES): CC(=O)OC1CCCc2ccc(/N=C/N3CCc4ccccc4C3)cc21
InChIKey: ASMHEURTLBOCKH-HZHRSRAPSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 348.45, ALogP 4.35, HBA 3, HBD 0, PSA 41.9, QED 0.47
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3)CC2
InChIKey: VZZJAZOBBQGWCX-WGOQTCKBSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 54000 nM (pChEMBL 4.269999980926514)
Descriptors: MW 437.54, ALogP 4.72, HBA 5, HBD 0, PSA 63.6, QED 0.51
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCC3)CC2
InChIKey: LHDVHKCXIMBGFK-MFKUBSTISA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 408.5, ALogP 4.36, HBA 5, HBD 0, PSA 60.36, QED 0.42
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2
InChIKey: NPYZSFJJFCSMMV-WGOQTCKBSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 422.53, ALogP 4.75, HBA 5, HBD 0, PSA 60.36, QED 0.3
Compound (SMILES): CCCOC1CCCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21
InChIKey: NEMWODFZWVJHSL-YZSQISJMSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 42000 nM (pChEMBL 4.380000114440918)
Descriptors: MW 408.54, ALogP 5.23, HBA 4, HBD 0, PSA 43.29, QED 0.46
Compound (SMILES): COC(=O)N1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21
InChIKey: SHARLZVPHXBHLQ-OEAKJJBVSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 395.46, ALogP 3.55, HBA 5, HBD 0, PSA 63.6, QED 0.59
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CC3)CC2
InChIKey: FJNBHLSWNGPZQQ-ZVHZXABRSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 394.47, ALogP 3.97, HBA 5, HBD 0, PSA 60.36, QED 0.44
Compound (SMILES): CC(=O)OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21
InChIKey: NIBSKZAKNHPDAI-HYARGMPZSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 334.42, ALogP 3.96, HBA 3, HBD 0, PSA 41.9, QED 0.48
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1CC3)CC2
InChIKey: DDGNZGCNNSGECT-MFKUBSTISA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 440.63, ALogP 5.26, HBA 5, HBD 0, PSA 34.06, QED 0.48
Compound (SMILES): CCCCSC1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21
InChIKey: FRMIPKWMBQUOCY-YZSQISJMSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 424.61, ALogP 5.94, HBA 4, HBD 0, PSA 34.06, QED 0.3
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CCCC3)CC2
InChIKey: LPLBLTITXDCEAW-BUVRLJJBSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 380.49, ALogP 4.18, HBA 4, HBD 1, PSA 54.29, QED 0.49
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1C3)CC2
InChIKey: IVOXPEAHOOVZCL-ZVHZXABRSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 426.61, ALogP 4.87, HBA 5, HBD 0, PSA 34.06, QED 0.51
Compound (SMILES): CC(=O)OC1CCc2ccc(/N=C/N(C)Cc3ccccc3)cc21
InChIKey: LGWSPIADNFUMJB-KGENOOAVSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 322.41, ALogP 4.03, HBA 3, HBD 0, PSA 41.9, QED 0.47
Compound (SMILES): CN(/C=N/c1ccc2c(c1)C(O)CC2)Cc1ccccc1
InChIKey: PCAYXHCOLDZGEL-CPNJWEJPSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from dopamine D2 receptor
Measurement: Ki = 59000 nM (pChEMBL 4.230000019073486)
Descriptors: MW 280.37, ALogP 3.46, HBA 2, HBD 1, PSA 35.83, QED 0.69
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc2c(c1)CN=N2
InChIKey: JKYZONHPYXHZHF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 347.38, ALogP 3.28, HBA 7, HBD 2, PSA 96.56, QED 0.74
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc2cn[nH]c2c1
InChIKey: OGYIIVAGLQNZRQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 347.38, ALogP 2.56, HBA 6, HBD 3, PSA 100.52, QED 0.52
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: MANDXCXRMDOQBT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIKey: MNCGWHHPXZQUQI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIKey: IQOMPPZZBVEULS-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 376.25, ALogP 3.99, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): COc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1OC
InChIKey: NBLCRYNLAHMCIA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 367.41, ALogP 2.7, HBA 7, HBD 2, PSA 90.3, QED 0.67
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIKey: IVVUEJITPKKCOQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: RVGGSPYQXPOZQH-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): Cc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1C(F)(F)F
InChIKey: MRYABPQQMFYZQO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 89 nM (pChEMBL 7.050000190734863)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F
InChIKey: MZHJFERNDUVHJP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): Cc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)c(F)c1
InChIKey: BBLPZQRAXIPHJL-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 1250 nM (pChEMBL 5.900000095367432)
Descriptors: MW 339.37, ALogP 3.13, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)NCc1ccc2c(c1)OCO2
InChIKey: VRPBUANPRQENCR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 740 nM (pChEMBL 6.130000114440918)
Descriptors: MW 365.39, ALogP 2.09, HBA 7, HBD 2, PSA 90.3, QED 0.7
Compound (SMILES): Cn1ncc(NCc2cccnc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: YCUHTMPWTWROKI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: BWGFZDUSGNRJEF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 432.4, ALogP 4.07, HBA 6, HBD 2, PSA 77.41, QED 0.61
Compound (SMILES): Cn1ncc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: USCADKPEUOMTCP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 432.4, ALogP 4.07, HBA 6, HBD 2, PSA 77.41, QED 0.61
Compound (SMILES): Cn1ncc(NCc2cccnc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: XLKYTCIJAAWWRJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: XZVLUSFJLPHOIQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 1340 nM (pChEMBL 5.869999885559082)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: KDICQMGDECIGIR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIKey: MCIJHEGABQVOTC-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIKey: GBUJHSNYIQJPHJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)cc1
InChIKey: RSUAWITYBKYTAK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cccc(Cl)c1
InChIKey: IGVLMEMISFSSAJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIKey: YBLAYGHYSZAEPB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 363.47, ALogP 3.98, HBA 5, HBD 2, PSA 71.84, QED 0.72
Compound (SMILES): CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1
InChIKey: DLYDQCVZBQEHHR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 349.44, ALogP 3.8, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIKey: SEOMBCRGSYUWGG-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 383.46, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.52
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIKey: XWUDTHGOGXCUTB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 399.45, ALogP 4.47, HBA 6, HBD 2, PSA 81.07, QED 0.48
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIKey: AMRWJLPRILFZMP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 397.48, ALogP 4.27, HBA 5, HBD 2, PSA 71.84, QED 0.49
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cnc2ccccc2c1
InChIKey: RKOKKJNHWVYIIF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 1140 nM (pChEMBL 5.940000057220459)
Descriptors: MW 358.41, ALogP 3.23, HBA 6, HBD 2, PSA 84.73, QED 0.57
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: OJRJMVSTODBILF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIKey: CNWRDLKCPGZLLP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 79 nM (pChEMBL 7.099999904632568)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIKey: SQWAVDLFFUTGHT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 82 nM (pChEMBL 7.090000152587891)
Descriptors: MW 376.25, ALogP 3.99, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): COc1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1OC
InChIKey: TXLNOFRGNOWXJK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 367.41, ALogP 2.7, HBA 7, HBD 2, PSA 90.3, QED 0.67
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIKey: CXDIVNNNEZJXQW-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: TVJVGUKOYAEUMF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): Cc1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1C(F)(F)F
InChIKey: APNXAJAHRAPJHH-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 102 nM (pChEMBL 6.989999771118164)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): Cc1cc(NC(=O)c2c(NCc3ccncc3)cnn2C)ccc1C(F)(F)F
InChIKey: YSSBFDUPJYHIMF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: WXIOZJSXVMCDEF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 2270 nM (pChEMBL 5.639999866485596)
Descriptors: MW 376.34, ALogP 4.26, HBA 5, HBD 2, PSA 80.05, QED 0.7
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: WJZJOYFICBHWRB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 376.34, ALogP 4.26, HBA 5, HBD 2, PSA 80.05, QED 0.7
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIKey: LOIFMQKKMVMVNT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 by cell-based assay
Measurement: IC50 = 910 nM (pChEMBL 6.039999961853027)
Descriptors: MW 392.34, ALogP 4.14, HBA 6, HBD 2, PSA 89.28, QED 0.66