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Q99572 | P2RX7_HUMAN | P2X purinoceptor 7 (P2RX7)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2324343 OBDepict NH 2 N CH 3 H O N H CH 3 O F F F F IC50 = 0.01 nM 435.42 Cc1ccc2c(=O)n([C@H](C)CN)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1 Homo sapiens CHEMBL2327433 single protein format
CHEMBL4165149 OBDepict O N N N H 3 C CH 3 N O S O O N IC50 = 0.11 nM 581.7 CN(C)c1ccc(C(=O)N2CCC(n3cncc3-c3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)CC2)cc1 Homo sapiens CHEMBL4153246 cell-based format
CHEMBL3663257 OBDepict O N N N N H CH 3 N Cl S F F F IC50 = 0.2 nM 427.84 C[C@H]1Cn2c(nnc2-c2cscn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663243 OBDepict F N N N H H 3 C N O Cl F F F IC50 = 0.2 nM 438.81 C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3749873 cell-based format
CHEMBL3679011 OBDepict F N NH O F F Cl Cl IC50 = 0.28 nM 417.26 O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663294 OBDepict CH 3 H N N O N N N N Cl F F F IC50 = 0.3 nM 436.83 CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3984958 OBDepict F N NH O F F Cl Cl IC50 = 0.33 nM 431.29 O=C(NCC(c1ccc(F)cc1)N1CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3663316 OBDepict O N N N N H CH 3 N N Cl F F F IC50 = 0.4 nM 422.8 C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663244 OBDepict O N N N N H H 3 C N Cl F F F IC50 = 0.5 nM 421.81 C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3749873 cell-based format
CHEMBL3955749 OBDepict Cl N H HN O O Cl CH 3 IC50 = 0.53 nM 393.31 Cc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3679043 OBDepict O N H Cl H 3 C N F F F F F IC50 = 0.54 nM 446.85 Cc1cccc(C(=O)NCC2(c3ccc(C(F)(F)F)nc3)CCC(F)(F)CC2)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679036 OBDepict O N H Cl Cl N F F F IC50 = 0.55 nM 417.26 O=C(NCC(CC1CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3916032 OBDepict Cl N NH O O Cl Cl IC50 = 0.6 nM 413.73 O=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3913134 OBDepict CH 3 O N N H O F F Cl Cl IC50 = 0.6 nM 443.32 COc1ccc(C(CNC(=O)c2cccc(Cl)c2Cl)N2CCC(F)(F)CC2)cc1 Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3958103 OBDepict O N H F Cl N N F F F F F IC50 = 0.62 nM 465.83 O=C(NCC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)c1c(F)cccc1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL4109892 OBDepict Cl N H HN O O Cl Cl IC50 = 0.62 nM 413.73 O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3913344 OBDepict O N H Cl Cl N N N F F F F F IC50 = 0.65 nM 483.27 O=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3663260 OBDepict HO N N N N H CH 3 N O Cl F F F IC50 = 0.7 nM 451.84 C[C@H]1Cn2c(nnc2-c2cc(CO)ccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663242 OBDepict O N N N N H H 3 C N Cl N F F F IC50 = 0.7 nM 422.8 C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679084 OBDepict O N H Cl Cl N F F F IC50 = 0.71 nM 417.26 O=C(NCC(CC1CC1)c1ccc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679042 OBDepict O N H H 3 C Br N F F F F F IC50 = 0.71 nM 491.3 Cc1c(Br)cccc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1 Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679051 OBDepict F F HN N O Cl Cl IC50 = 0.76 nM 439.33 O=C(NCC(CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3639778 OBDepict CH 3 Cl N H O N F F F IC50 = 0.76 nM 396.84 Cc1ccc(Cl)c(C(=O)NCC2(c3ccc(F)nc3)CCC(F)(F)CC2)c1 Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663286 OBDepict O N N N N H N Cl N F F F IC50 = 0.8 nM 448.84 O=C1c2nnc(-c3cnccn3)n2C[C@H](C2CC2)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679022 OBDepict H 3 C O Cl N H O N F F F IC50 = 0.83 nM 412.84 COc1ccc(Cl)c(C(=O)NCC2(c3ccc(F)nc3)CCC(F)(F)CC2)c1 Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679063 OBDepict O N H Cl Cl N N F F F IC50 = 0.88 nM 418.25 O=C(NCC(CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3979867 OBDepict F N N NH O F F Cl Cl IC50 = 0.89 nM 432.27 O=C(NCC(c1ccc(F)nc1)N1CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3663255 OBDepict F N N N N H H 3 C N O Cl F F F IC50 = 0.9 nM 439.8 C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679104 OBDepict O N H Cl Cl N N F F F F F IC50 = 0.95 nM 468.25 O=C(NCC1(c2cnc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679029 OBDepict CH 3 O N N H O F F Cl Cl IC50 = 0.96 nM 429.29 COc1ccc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663254 OBDepict O N N N N H H 3 C Cl N F F F IC50 = 1.0 nM 421.81 C[C@H]1Cn2c(nnc2-c2cccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663298 OBDepict H 3 C H N N O N N N Cl F F F F IC50 < 1.0 nM 453.83 CC[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663247 OBDepict O N N N N H CH 3 N Cl O F F F IC50 < 1.0 nM 411.77 C[C@H]1Cn2c(nnc2-c2cocn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663297 OBDepict H 3 C H N N O N N N N Cl F F F F IC50 < 1.0 nM 454.82 CC[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663289 OBDepict O N N N N H N N Cl F F F IC50 = 1.0 nM 448.84 O=C1c2nnc(-c3ncccn3)n2C[C@H](C2CC2)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3663239 OBDepict O N N N N H CH 3 N Cl N Cl IC50 = 1.0 nM 389.25 C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3955645 OBDepict F N N N N N H H 3 C N O Cl Cl IC50 = 1.0 nM 407.24 C[C@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3889240 cell-based format
CHEMBL3663253 OBDepict H N N N N N H H 3 C N O Cl F F F IC50 = 1.0 nM 410.79 C[C@H]1Cn2c(nnc2-c2cc[nH]n2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679005 OBDepict H 3 C CH 3 N H N O CH 3 Cl Cl IC50 = 1.0 nM 365.3 Cc1ccc(C(CNC(=O)c2cccc(Cl)c2Cl)CC(C)C)cn1 Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663259 OBDepict F N N N N N H H 3 C N O Cl F F F IC50 = 1.0 nM 440.79 C[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679134 OBDepict F NH N N O F F F Cl Cl IC50 = 1.1 nM 458.24 O=C(NCC(c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3697521 OBDepict F N N N N N H N H O Cl F F F IC50 = 1.1 nM 466.83 O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CCC[C@@H]1Cn1c(-c3ncc(F)cn3)nnc12 Homo sapiens CHEMBL3706047 cell-based format
CHEMBL3663291 OBDepict H N N N N N N O Cl F F F IC50 = 1.1 nM 436.83 O=C1c2nnc(-c3cc[nH]n3)n2CC(C2CC2)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3891612 OBDepict O N H CH 3 Cl N N N F F F N N IC50 = 1.1 nM 422.8 C[C@H]1Cc2c(nnn2-c2ncccn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3889240 cell-based format
CHEMBL3663252 OBDepict O N N N N H CH 3 N Cl N H H 3 C F F F IC50 = 1.2 nM 424.81 Cc1cc(-c2nnc3n2C[C@H](C)N(Cc2cccc(C(F)(F)F)c2Cl)C3=O)n[nH]1 Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679026 OBDepict O N H Cl Cl N F F F F F IC50 = 1.2 nM 467.27 O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663256 OBDepict O N N N N H CH 3 N S Cl F F F IC50 = 1.2 nM 427.84 C[C@H]1Cn2c(nnc2-c2nccs2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679035 OBDepict F N HN O F F Cl Cl IC50 = 1.2 nM 417.26 O=C(NCC1(c2cncc(F)c2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679013 OBDepict F N NH O F F Cl F F F IC50 = 1.2 nM 450.81 O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cc(C(F)(F)F)ccc1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663294 OBDepict CH 3 H N N O N N N N Cl F F F Ki = 1.3 nM 436.83 CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3679028 OBDepict O N H Cl Cl N F F IC50 = 1.3 nM 439.33 O=C(NCC1(c2ccc(C3CC3)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3907209 OBDepict O N H Cl Cl N N F F F F F IC50 = 1.3 nM 482.28 O=C(NCC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3959728 OBDepict Cl CH 3 Cl HN O O N IC50 = 1.3 nM 351.23 Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc21 Homo sapiens CHEMBL3888874 cell-based format
CHEMBL4113200 OBDepict O N H CH 3 Cl N N N F F F N IC50 = 1.3 nM 421.81 C[C@@H]1Cc2c(nnn2-c2ccccn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3889240 cell-based format
CHEMBL3663239 OBDepict O N N N N H CH 3 N Cl N Cl Ki = 1.4 nM 389.25 C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3663247 OBDepict O N N N N H CH 3 N Cl O F F F Ki = 1.4 nM 411.77 C[C@H]1Cn2c(nnc2-c2cocn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3604331 OBDepict O N H H 3 C Cl N N Cl N N IC50 = 1.4 nM 388.26 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3606545 cell-based format
CHEMBL3679078 OBDepict O N H Cl F N F F F F F IC50 = 1.4 nM 450.81 O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1cccc(F)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL1823817 OBDepict CH 3 O HO H N O O N N Cl N H O OH IC50 = 1.4 nM 480.95 COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O Homo sapiens CHEMBL3606542 cell-based format
CHEMBL3663287 OBDepict O N N N N Cl N N F F F IC50 = 1.4 nM 448.84 O=C1c2nnc(-c3ncccn3)n2CC(C2CC2)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3679098 OBDepict CH 3 O CH 3 HN O N N F F F IC50 = 1.4 nM 393.41 COc1cccc(C(=O)NCC(CC2CC2)c2cnc(C(F)(F)F)nc2)c1C Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663295 OBDepict CH 3 H N N O N N Cl N F F F IC50 = 1.4 nM 435.84 CC[C@H]1Cn2c(nnc2-c2cccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL4584526 OBDepict O N + N N O _ O N O S O O N IC50 = 1.49 nM 583.63 O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(n2cncc2-c2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1 Homo sapiens CHEMBL4479309 cell-based format
CHEMBL3663296 OBDepict CH 3 H N N O N N N Cl N H F F F IC50 = 1.5 nM 424.81 CC[C@H]1Cn2c(nnc2-c2cc[nH]n2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3949978 OBDepict CH 3 Cl N H Cl O O N IC50 = 1.5 nM 351.23 CCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc21 Homo sapiens CHEMBL3888874 cell-based format
CHEMBL3918405 OBDepict H 3 C O Cl N H O N O Cl IC50 = 1.5 nM 409.31 COc1cccc(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3933536 OBDepict Cl H 3 C Cl NH O S N IC50 = 1.5 nM 341.26 Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc21 Homo sapiens CHEMBL3888731 assay format
CHEMBL3663242 OBDepict O N N N N H H 3 C N Cl N F F F Ki = 1.6 nM 422.8 C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3679053 OBDepict F F N H N O F F F Cl Cl IC50 = 1.6 nM 467.27 O=C(NCC(CC1(C(F)F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3663305 OBDepict O N N N N H CH 3 N CH 3 N F F F IC50 = 1.6 nM 402.38 Cc1c(CN2C(=O)c3nnc(-c4cnccn4)n3C[C@@H]2C)cccc1C(F)(F)F Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3931251 OBDepict Cl H 3 C Cl N H O S O N IC50 = 1.6 nM 357.26 Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncsc21 Homo sapiens CHEMBL3888731 assay format
CHEMBL3679115 OBDepict O N H Cl Cl N N F F F F F F IC50 = 1.6 nM 486.24 O=C(NCC(CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679090 OBDepict Cl NH O O Cl Cl IC50 = 1.6 nM 412.74 O=C(NCC(c1ccc(Cl)cc1)C1CCOCC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3679039 OBDepict CH 3 O H 3 C N H O N F F F F F IC50 = 1.6 nM 442.43 COc1cccc(C(=O)NCC2(c3ccc(C(F)(F)F)nc3)CCC(F)(F)CC2)c1C Homo sapiens CHEMBL3705577 cell-based format
CHEMBL3697548 OBDepict O N H H Cl N N N F F F S IC50 = 1.7 nM 438.86 O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3ccsc3)n1C2 Homo sapiens CHEMBL3706047 cell-based format
CHEMBL3663277 OBDepict O N N N N H CH 3 N N Cl F F F F F F IC50 = 1.7 nM 490.8 C[C@H]1Cn2c(nnc2-c2nccc(C(F)(F)F)n2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL3904992 OBDepict F N N N N N H CH 3 N O Cl F F F IC50 = 1.7 nM 440.79 C[C@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3889240 cell-based format
CHEMBL3918703 OBDepict O N H Cl F N N F F F F F IC50 = 1.7 nM 465.83 O=C(NCC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)c1cccc(F)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3914424 OBDepict O N H Cl F N N N F F F F F IC50 = 1.7 nM 466.81 O=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)c1cccc(F)c1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3931075 OBDepict O N H CH 3 Cl N N N F F F N IC50 = 1.7 nM 421.81 C[C@H]1Cc2c(nnn2-c2ccccn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL4033425 cell-based format
CHEMBL3674102 OBDepict Cl Cl N O CH 3 N CH 3 N N H N IC50 = 1.7 nM 402.29 Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccc(Cl)cc1Cl)C2 Homo sapiens CHEMBL3706156 cell-based format
CHEMBL3663237 OBDepict H 3 C N N O N N N Cl N Cl IC50 = 1.8 nM 389.25 CC1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL3706110 cell-based format
CHEMBL4077411 OBDepict CH 3 N N N N N H H 3 C N O Cl F F F IC50 = 1.8 nM 438.84 CCn1ccc(-n2nnc3c2C[C@H](C)N(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)n1 Homo sapiens CHEMBL4033425 cell-based format
CHEMBL3955304 OBDepict O N H Cl N N F F F F F IC50 = 1.8 nM 447.84 O=C(NCC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)c1ccccc1Cl Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3977105 OBDepict Cl Cl NH O S O N IC50 = 1.8 nM 369.27 O=C(NC1CCc2cc(Cl)cc(Cl)c21)C1CCOc2ncsc21 Homo sapiens CHEMBL3888731 assay format
CHEMBL4541082 OBDepict H N N H O H 3 C O I F F F Ki = 1.9 nM 426.18 CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1I Homo sapiens CHEMBL4340266 cell-based format
CHEMBL3914773 OBDepict Cl H 3 C Cl N H O S N IC50 = 1.9 nM 355.29 Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2ncsc21 Homo sapiens CHEMBL3888731 assay format
CHEMBL3679152 OBDepict O N H Cl Cl IC50 = 1.9 nM 230.09 O=C(NC1CC1)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL2218113 OBDepict O N Cl Cl N N N N N IC50 = 1.9 nM 375.22 O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1 Homo sapiens CHEMBL3606545 cell-based format
CHEMBL3663257 OBDepict O N N N N H CH 3 N Cl S F F F Ki = 2.0 nM 427.84 C[C@H]1Cn2c(nnc2-c2cscn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3663260 OBDepict HO N N N N H CH 3 N O Cl F F F Ki = 2.0 nM 451.84 C[C@H]1Cn2c(nnc2-c2cc(CO)ccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3663316 OBDepict O N N N N H CH 3 N N Cl F F F Ki = 2.0 nM 422.8 C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3928714 OBDepict F N N N N N H CH 3 N O Cl Cl F IC50 = 2.0 nM 425.23 C[C@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1ccc(F)c(Cl)c1Cl Homo sapiens CHEMBL3889240 cell-based format
CHEMBL3953886 OBDepict Cl N NH O F F CH 3 IC50 = 2.0 nM 392.88 Cc1ccccc1C(=O)NCC(c1ccc(Cl)cc1)N1CCC(F)(F)CC1 Homo sapiens CHEMBL3888912 cell-based format
CHEMBL3915589 OBDepict O N H H 3 C Cl N Cl N N F N IC50 = 2.0 nM 406.25 C[C@H]1c2nnn(-c3ccccn3)c2CCN1C(=O)c1ccc(F)c(Cl)c1Cl Homo sapiens CHEMBL3889240 cell-based format
CHEMBL4072525 OBDepict O N H H 3 C Cl N N N F F F S IC50 = 2.0 nM 426.85 C[C@H]1Cc2c(nnn2-c2ccsc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL4033425 cell-based format
CHEMBL3679075 OBDepict O N H Cl N F F F F F IC50 = 2.0 nM 432.82 O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1ccccc1Cl Homo sapiens CHEMBL3705577 cell-based format
CHEMBL4171354 OBDepict HO NH Cl NH O ClH IC50 = 2.0 nM 455.47 Cl.O=C(NCC1C2CC3CC(C2)CC1C3)c1cc(CCCNCCCO)ccc1Cl Homo sapiens CHEMBL4153209 cell-based format
CHEMBL3663262 OBDepict O N N N N H CH 3 S Cl N F F F Ki = 2.0 nM 427.84 C[C@H]1Cn2c(nnc2-c2cncs2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706111 cell-based format
CHEMBL3663240 OBDepict H 3 C N N O N N N Cl N F F F IC50 = 2.1 nM 422.8 CC1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl Homo sapiens CHEMBL3706110 cell-based format