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Q9H773 | DCTP1_HUMAN | dCTP pyrophosphatase 1 (DCTPP1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4072033 OBDepict O N H N N S N N S O O CH 3 Cl IC50 = 19.0 nM 492.03 Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3cccs3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL1578365 OBDepict H 3 C O O CH 3 N S N N N O IC50 = 19.0 nM 328.35 COc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1OC Homo sapiens CHEMBL4008373 assay format
CHEMBL3771346 OBDepict H 3 C N H 3 C N Cl + N Cl O _ O IC50 = 19.0 nM 350.21 Cc1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4065181 OBDepict H 3 C O O CH 3 N S N N N S IC50 = 20.0 nM 344.42 COc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1OC Homo sapiens CHEMBL4008373 assay format
CHEMBL3771039 OBDepict HO N H 3 C N Cl + N Cl O _ O IC50 = 21.0 nM 352.18 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4082508 OBDepict F N H O N N N N S O O Cl N IC50 = 25.0 nM 490.95 O=C(NCc1ccc(F)cc1)c1ccc(N2CCN(S(=O)(=O)c3cccnc3Cl)CC2)nn1 Homo sapiens CHEMBL4016019 assay format
CHEMBL3769835 OBDepict HO B HO N N Cl + N Cl O _ O IC50 = 27.0 nM 406.03 O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(C1CC1)n2Cc1ccc(B(O)O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3769727 OBDepict CH 3 O O N CH 3 N Cl + N Cl O _ O IC50 = 34.0 nM 394.21 CC(=O)Oc1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4060634 OBDepict HC NH O N N N N S O O H 3 C Cl IC50 = 34.0 nM 433.92 C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)nn1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4075978 OBDepict F N H O N N N N S O O CH 3 N IC50 = 36.0 nM 470.53 Cc1ncccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4101470 OBDepict O O N N N N S O O CH 3 IC50 = 38.0 nM 452.54 Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)OCc3ccccc3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL3771227 OBDepict H 3 C O N CH 3 N Cl + N Cl O _ O IC50 = 41.0 nM 366.2 COc1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4091797 OBDepict HC O O N N N N S O O N OH IC50 = 41.0 nM 485.57 C#CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3N3CCC(O)CC3)CC2)nn1 Homo sapiens CHEMBL4016019 assay format
CHEMBL3771237 OBDepict HO B OH N CH 3 N Cl + N Cl O _ O IC50 = 46.0 nM 380.0 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(B(O)O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3770446 OBDepict HO B OH N H 3 C N Cl + N Cl O _ O IC50 = 46.0 nM 380.0 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1cccc(B(O)O)c1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3771105 OBDepict H 3 C N O O O O B N H 3 C N Cl + N Cl O _ O IC50 = 47.0 nM 491.1 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(B2OC(=O)CN(C)CC(=O)O2)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3769687 OBDepict _ O + N O Cl N Cl N H 3 C IC50 = 49.0 nM 336.18 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccccc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4098065 OBDepict O N H N N S N N S O O CH 3 IC50 = 51.0 nM 457.58 Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3cccs3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL3771138 OBDepict H 3 C O N CH 3 N CH 3 + N H 3 C O _ O IC50 = 57.0 nM 325.37 COc1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(C)c(C)cc32)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4061657 OBDepict F N H O N N N N S O O CH 3 IC50 = 65.0 nM 469.54 Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL3769653 OBDepict _ O + N O Cl N Cl N H 3 C O OH IC50 = 73.0 nM 380.19 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3770789 OBDepict _ O + N O Cl N Cl N H 3 C S O O IC50 = 74.0 nM 386.22 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3770659 OBDepict _ O + N O Cl N Cl N H 3 C N N IC50 = 75.0 nM 402.24 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(-n2cccn2)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL1519124 OBDepict H 3 C O O CH 3 N S N N N N IC50 = 79.0 nM 339.38 COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1OC Homo sapiens CHEMBL4008373 assay format
CHEMBL3770096 OBDepict OH B HO N CH 3 N Cl + N Cl O _ O IC50 = 82.0 nM 380.0 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccccc1B(O)O Homo sapiens CHEMBL3772975 assay format
CHEMBL3770930 OBDepict _ O + N O Cl N Cl N CH 3 IC50 = 85.0 nM 322.15 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1-c1ccccc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3770808 OBDepict CH 3 O O N CH 3 N Cl + N Cl O _ O IC50 = 95.0 nM 394.21 COC(=O)c1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4065981 OBDepict N N N N N S IC50 = 95.0 nM 329.39 c1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)nc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL3770403 OBDepict _ O + N O Cl N Cl N H 3 C O IC50 = 96.0 nM 350.16 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1C(=O)c1ccccc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3770193 OBDepict O N CH 3 N Cl + N Cl O _ O IC50 = 133.0 nM 364.19 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(C=O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4078660 OBDepict S N S N N N O IC50 = 144.0 nM 328.42 c1coc(-c2nnc3sc(-c4csc5c4CCCC5)nn23)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4086793 OBDepict Br N S N N N N IC50 = 164.0 nM 358.22 Brc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL3770701 OBDepict N N CH 3 N Cl + N Cl O _ O IC50 = 165.0 nM 361.19 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(C#N)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4065129 OBDepict O N H N N N N S O O CH 3 IC50 = 170.0 nM 451.55 Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4086506 OBDepict N N N S N N N S IC50 = 170.0 nM 286.35 c1csc(-c2nnc3sc(-c4cnccn4)nn23)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4065061 OBDepict O N N N N S N IC50 = 177.0 nM 319.35 c1coc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL3770766 OBDepict Cl N N H 3 C N Cl + N Cl O _ O IC50 = 185.0 nM 371.61 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(Cl)nc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4060941 OBDepict CH 3 CH 3 N O N H N H 3 C Cl IC50 = 190.0 nM 315.8 CCCc1c(C)[nH]c2c(-c3ccc(Cl)cc3)c(C)nn2c1=O Homo sapiens CHEMBL4044325 single protein format
CHEMBL3770307 OBDepict Cl Cl N + N N O _ O H 3 C CH 3 N CH 3 N H IC50 = 190.0 nM 368.22 Cc1n[nH]c(C)c1CCn1c(C)nc2c([N+](=O)[O-])c(Cl)c(Cl)cc21 Homo sapiens CHEMBL3772975 assay format
CHEMBL4095068 OBDepict N N N N N S O O IC50 = 190.0 nM 323.34 c1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)nc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4062129 OBDepict CH 3 N N N CH 3 CH 3 N CH 3 O N O H IC50 = 200.0 nM 337.38 Cc1ccc(Cn2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 Homo sapiens CHEMBL4044325 single protein format
CHEMBL4104690 OBDepict Cl N S N N N N IC50 = 204.0 nM 313.77 Clc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4102676 OBDepict N N N N N S IC50 = 204.0 nM 329.39 c1ccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)nc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL3771117 OBDepict HO B OH N H 3 C N Cl + N Cl O _ O IC50 = 205.0 nM 394.02 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1CCc1ccc(B(O)O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3771148 OBDepict HO B OH N N F F F + N O _ O IC50 = 206.0 nM 365.08 O=[N+]([O-])c1cccc2c1nc(C(F)(F)F)n2Cc1ccc(B(O)O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4066177 OBDepict H 3 C O N S N N N F IC50 = 208.0 nM 326.36 COc1ccc(-c2nn3c(-c4ccccc4F)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4069727 OBDepict Cl N S N N N N IC50 = 220.0 nM 353.84 Clc1ccc(/C=C/Cc2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4087381 OBDepict CH 3 H 3 C N S N N N N IC50 = 227.0 nM 307.38 Cc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1C Homo sapiens CHEMBL4008373 assay format
CHEMBL4078004 OBDepict N N N N N S N IC50 = 233.0 nM 280.32 c1ccc(-c2nnc3sc(-c4cccnc4)nn23)nc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL2315104 OBDepict O N H N N N N O F F F IC50 = 240.0 nM 469.47 O=C(NCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 Homo sapiens CHEMBL4016019 assay format
CHEMBL3770961 OBDepict CH 3 S N N CH 3 N Cl + N Cl O _ O IC50 = 240.0 nM 357.22 Cc1nc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cs1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4075215 OBDepict H 3 C N H N N N H IC50 = 240.0 nM 300.37 Cc1cc(N/N=C/c2c[nH]c3ccccc23)nc2ccccc12 Homo sapiens CHEMBL4057013 single protein format
CHEMBL3769502 OBDepict HO B OH N CH 3 N Cl Cl IC50 = 248.0 nM 335.0 Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(B(O)O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL3771173 OBDepict _ O + N O CH 3 N CH 3 N H 3 C CH 3 IC50 = 250.0 nM 309.37 Cc1cc2c(nc(C)n2C(C)c2ccccc2)c([N+](=O)[O-])c1C Homo sapiens CHEMBL3772975 assay format
CHEMBL4086571 OBDepict O N H N N N N S O O F F F IC50 = 250.0 nM 505.52 O=C(NCc1ccccc1)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4092758 OBDepict F O N N N N S O O CH 3 IC50 = 258.0 nM 468.55 Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)CCc3ccc(F)cc3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4080038 OBDepict OH N S N O O N N N HN O IC50 = 260.0 nM 536.66 O=C(NCc1ccccc1)c1ccc(N2CCN(S(=O)(=O)c3ccccc3N3CCC(O)CC3)CC2)nn1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4083779 OBDepict Cl S N N N N N IC50 = 271.0 nM 313.77 Clc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4084880 OBDepict H 3 C O O H 3 C N S N N N N IC50 = 276.0 nM 339.38 COc1cc(OC)cc(-c2nn3c(-c4ccccn4)nnc3s2)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4094521 OBDepict CH 3 N H 3 C N S N N N N IC50 = 277.0 nM 322.4 CN(C)c1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4080636 OBDepict Cl N O N O N CH 3 N IC50 = 280.0 nM 420.9 Cn1c(-c2ccc(CN3CCCC3)cc2)nc2onc(-c3ccccc3Cl)c2c1=O Homo sapiens CHEMBL4044325 single protein format
CHEMBL4093754 OBDepict H 3 C O N S N N N N IC50 = 282.0 nM 309.35 COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4079502 OBDepict CH 3 N CH 3 N S N N N N IC50 = 291.0 nM 322.4 CN(C)c1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4102265 OBDepict CH 3 N S N N N N N IC50 = 314.0 nM 344.4 Cc1cc(-c2nn3c(-c4ccccn4)nnc3s2)c2ccccc2n1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4105109 OBDepict Br N S N N N N IC50 = 328.0 nM 358.22 Brc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL3770506 OBDepict _ O + N O Cl N Cl N H 3 C N IC50 = 331.0 nM 401.25 Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(-n2cccc2)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4078943 OBDepict F N S N N N N IC50 = 332.0 nM 297.32 Fc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4073645 OBDepict H 3 C N O H 3 C N S N N N S IC50 = 346.0 nM 317.4 CCc1noc(C)c1-c1nn2c(-c3cccs3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4069309 OBDepict O N H N N N N S O O F IC50 = 350.0 nM 455.52 O=C(NCc1ccccc1)c1ccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4078416 OBDepict F S N N N N N IC50 = 357.0 nM 297.32 Fc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4075933 OBDepict Cl N O N N N H 3 C N IC50 = 360.0 nM 337.77 Cc1c(-c2nnc(-c3ccccc3Cl)o2)nnn1-c1ccccc1 Homo sapiens CHEMBL4057013 single protein format
CHEMBL4096415 OBDepict Br N H 3 C N CH 3 O IC50 = 370.0 nM 355.24 Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(Br)c1 Homo sapiens CHEMBL4044325 single protein format
CHEMBL4096363 OBDepict H 3 C N H N N N CH 3 IC50 = 370.0 nM 314.39 Cc1cc(N/N=C/c2cn(C)c3ccccc23)nc2ccccc12 Homo sapiens CHEMBL4057013 single protein format
CHEMBL4096958 OBDepict N N N N N S O IC50 = 401.0 nM 319.35 c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)nc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4061591 OBDepict F N N N N S IC50 = 410.0 nM 296.33 Fc1ccccc1-c1nnc2sc(-c3ccccc3)nn12 Homo sapiens CHEMBL4008373 assay format
CHEMBL1503522 OBDepict Cl Cl N S N N N N IC50 = 419.0 nM 348.22 Clc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)c(Cl)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL1557876 OBDepict Cl N S N N N N IC50 = 440.0 nM 313.77 Clc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4083368 OBDepict CH 3 O N S N N N N IC50 = 449.0 nM 323.38 CCOc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4067050 OBDepict CH 3 S N N N N N IC50 = 449.0 nM 293.36 Cc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4089123 OBDepict CH 3 CH 3 N O N H N H 3 C IC50 = 450.0 nM 295.39 CCCCc1c(C)[nH]c2c(-c3ccccc3)c(C)nn2c1=O Homo sapiens CHEMBL4044325 single protein format
CHEMBL4062600 OBDepict N N S N N N O IC50 = 453.0 nM 309.35 C(=C/c1cccnc1)Cc1nn2c(-c3ccco3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4101350 OBDepict CH 3 N S N N N N IC50 = 469.0 nM 293.36 Cc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4090348 OBDepict O N H N N N N S O O N CH 3 CH 3 IC50 = 502.0 nM 480.59 CN(C)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL4064801 OBDepict I N S N N N N IC50 = 505.0 nM 405.22 Ic1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4102312 OBDepict H 3 C N S N N N N IC50 = 505.0 nM 293.36 Cc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL1223844 OBDepict OH S O N N N IC50 = 520.0 nM 365.46 O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=Cc1ccc(O)cc1 Homo sapiens CHEMBL4057013 single protein format
CHEMBL3770101 OBDepict HO B OH N CH 3 N F + N F O _ O IC50 = 529.0 nM 347.09 Cc1nc2c([N+](=O)[O-])c(F)c(F)cc2n1Cc1ccc(B(O)O)cc1 Homo sapiens CHEMBL3772975 assay format
CHEMBL4084024 OBDepict O N H N N N S O O CH 3 IC50 = 530.0 nM 450.56 Cc1ccccc1S(=O)(=O)C1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1 Homo sapiens CHEMBL4016019 assay format
CHEMBL2359616 OBDepict CH 3 O N N CH 3 N N S N O IC50 = 550.0 nM 359.46 COc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2C Homo sapiens CHEMBL4057013 single protein format
CHEMBL4064390 OBDepict N N N N S N IC50 = 558.0 nM 319.39 C(=C/c1cccnc1)Cc1nn2c(-c3ccccc3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4061348 OBDepict O N H H 3 C N O N S IC50 = 580.0 nM 339.42 Cc1ccccc1C(=O)Nc1cnc2sc3c(n2c1=O)CCCC3 Homo sapiens CHEMBL4044325 single protein format
CHEMBL3310815 OBDepict N S N N N O IC50 = 592.0 nM 268.3 c1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4066911 OBDepict H 3 C N N N O H Cl CH 3 IC50 = 600.0 nM 273.72 Cc1nn2c(=O)c(Cl)c(C)[nH]c2c1-c1ccccc1 Homo sapiens CHEMBL4044325 single protein format
CHEMBL4101775 OBDepict Br S N N N N N IC50 = 602.0 nM 358.22 Brc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4084010 OBDepict N S N N N N IC50 = 619.0 nM 279.33 c1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4076147 OBDepict H 3 C N H N N N N CH 3 H 3 C Cl IC50 = 620.0 nM 301.78 Cc1ccccc1CNc1nc2nc(C)c(Cl)c(C)n2n1 Homo sapiens CHEMBL4057013 single protein format
CHEMBL4062089 OBDepict CH 3 O N O N N Cl N O IC50 = 660.0 nM 424.89 COc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 Homo sapiens CHEMBL4057013 single protein format
CHEMBL4067515 OBDepict F N S N N N N IC50 = 670.0 nM 297.32 Fc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL4084351 OBDepict H 3 C N S N N N N N IC50 = 691.0 nM 294.34 Cc1ccccc1-c1nn2c(-c3cnccn3)nnc2s1 Homo sapiens CHEMBL4008373 assay format
CHEMBL1421246 OBDepict O N N N N S S IC50 = 704.0 nM 274.33 c1coc(-c2nnc3sc(-c4cccs4)nn23)c1 Homo sapiens CHEMBL4008373 assay format