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P23975 | SC6A2_HUMAN | Sodium-dependent noradrenaline transporter (SLC6A2)

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
CHEMBL1762471 OBDepict HO O O HO CH 3 HN O H Cl Cl IC50 = 0.0 nM 426.3 CNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL1763070 single protein format
CHEMBL382741 OBDepict N O OH H N H H 3 C H 3 C IC50 = 0.003 nM 374.48 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N Homo sapiens CHEMBL1055307 single protein format
CHEMBL1204009 OBDepict H 3 C O O O N OH H N H H 3 C CH 3 ClH IC50 = 0.037 nM 511.06 CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1.Cl Homo sapiens CHEMBL1055307 single protein format
CHEMBL3819243 OBDepict F Cl H O H N H N N O ClH IC50 = 0.065 nM 374.24 Cl.O=c1cccnn1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL3819201 OBDepict F Cl H O H N H N O ClH IC50 = 0.079 nM 373.26 Cl.O=c1ccccn1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL3818117 OBDepict O N H N H N H H O F Cl ClH IC50 = 0.08 nM 378.28 Cl.O=C1NCCCN1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL3817915 OBDepict O N H N H H O F Cl ClH IC50 = 0.1 nM 377.29 Cl.O=C1CCCCN1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL3818953 OBDepict O N H N H H O F Cl ClH IC50 = 0.13 nM 363.26 Cl.O=C1CCCN1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL180672 OBDepict N O Cl HO H N H CH 3 CH 3 IC50 = 0.2 nM 408.93 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N Homo sapiens CHEMBL1055307 single protein format
CHEMBL3818901 OBDepict H 3 C O O O N H N H H O F Cl ClH IC50 = 0.21 nM 431.29 COC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O.Cl Homo sapiens CHEMBL3821817 cell-based format
CHEMBL1275709 OBDepict N N H H H N CH 3 H 3 C IC50 = 0.22 nM 253.35 CN(C)[C@@H]1CC[C@H](c2c[nH]c3ccc(C#N)cc23)C1 Homo sapiens CHEMBL1285515 single protein format
CHEMBL179249 OBDepict CH 3 S H H O NH Ki = 0.3 nM 299.44 Cc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL1020452 cell-based format
CHEMBL4791288 OBDepict CH 3 NH O H NH H O Cl Cl ClH IC50 = 0.33 nM 353.68 CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl Homo sapiens CHEMBL4717570 cell-based format
CHEMBL3593400 OBDepict CH 3 NH O H NH H O Cl Cl OH O O HO IC50 = 0.33 nM 433.29 CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL3595873 cell-based format
CHEMBL1812750 OBDepict H 3 C O O H H NH H H F H 3 C IC50 = 0.5 nM 277.34 COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2 Homo sapiens CHEMBL1815454 cell-based format
CHEMBL4750411 OBDepict CH 3 HN O H S N O N H 3 C N N S CH 3 IC50 = 0.6 nM 469.64 CNCC[C@H](Oc1cccc(N2CCN(C)c3nc(SC)ncc3C2=O)c1)c1cccs1 Homo sapiens CHEMBL4714159 cell-based format
CHEMBL1275791 OBDepict H 3 C N CH 3 H H N H F IC50 = 0.63 nM 246.33 CN(C)[C@H]1CC[C@@H](c2c[nH]c3ccc(F)cc23)C1 Homo sapiens CHEMBL1285515 single protein format
CHEMBL3818471 OBDepict Cl F H O H N H N O N N N H H 3 C ClH IC50 = 0.64 nM 454.33 Cc1nnc(-c2cccn(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(F)c3)c2=O)[nH]1.Cl Homo sapiens CHEMBL3821817 cell-based format
CHEMBL181188 OBDepict CH 3 O S H H O N H Ki = 0.76 nM 315.44 COc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL947039 cell-based format
CHEMBL3593399 OBDepict O N H CH 3 H 3 C NH H O Cl Cl ClH IC50 = 0.77 nM 353.68 CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl Homo sapiens CHEMBL3595873 cell-based format
CHEMBL50858 OBDepict CH 3 O O N H CH 3 H CH 3 Cl IC50 = 0.8 nM 307.82 COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C Homo sapiens CHEMBL755084 single protein format
CHEMBL1696 OBDepict H 3 C N H N ClH Ki = 0.8 nM 302.85 CNCCCN1c2ccccc2CCc2ccccc21.Cl Homo sapiens CHEMBL1217136 single protein format
CHEMBL1812746 OBDepict H 3 C O O H H HN H H H 3 C Cl IC50 = 0.9 nM 293.79 COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(C)c2)C[C@@H]2CC[C@H]1N2 Homo sapiens CHEMBL1815454 cell-based format
CHEMBL336100 OBDepict Cl HO N N F Ki = 0.9 nM 302.74 OC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21 Homo sapiens CHEMBL756266 cell-based format
CHEMBL781 OBDepict Cl OH N N IC50 = 0.92 nM 284.75 OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21 Homo sapiens CHEMBL4011345 cell-based format
CHEMBL1085338 OBDepict CH 3 N H N S O O N F IC50 = 1.0 nM 335.4 CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O Homo sapiens CHEMBL1120739 cell-based format
CHEMBL1082458 OBDepict CH 3 N H OH H N S O O N F IC50 = 1.0 nM 365.43 CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O Homo sapiens CHEMBL1120739 cell-based format
CHEMBL3323091 OBDepict CH 3 N O IC50 < 1.0 nM 263.34 CN1Cc2ccccc2C(c2cc3ccccc3o2)C1 Homo sapiens CHEMBL3379356 cell-based format
CHEMBL3818345 OBDepict Cl F H O H N H N O N N O H O ClH IC50 = 1.0 nM 457.29 Cl.O=c1[nH]c(-c2cccn(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(F)c3)c2=O)no1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL72 OBDepict CH 3 N H N Ki = 1.0 nM 266.39 CNCCCN1c2ccccc2CCc2ccccc21 Homo sapiens CHEMBL915603 single protein format
CHEMBL411263 OBDepict F O S H H O HN Ki = 1.0 nM 347.46 FCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL947039 cell-based format
CHEMBL459176 OBDepict CH 3 N N H Ki = 1.0 nM 290.41 Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21 Homo sapiens CHEMBL944373 single protein format
CHEMBL574427 OBDepict F O F F HN Ki = 1.0 nM 307.31 Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1 Homo sapiens CHEMBL1047378 cell-based format
CHEMBL467432 OBDepict CH 3 O H H O NH Ki = 1.02 nM 283.37 Cc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL1020452 cell-based format
CHEMBL180101 OBDepict H 3 C O O H H O N H Ki = 1.04 nM 313.4 CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL1020452 cell-based format
CHEMBL14370 OBDepict CH 3 O O O HN Ki = 1.1 nM 313.4 CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 Homo sapiens CHEMBL753702 cell-based format
CHEMBL668 OBDepict CH 3 N H IC50 = 1.1 nM 263.38 CNCCCC1c2ccccc2C=Cc2ccccc21 Homo sapiens CHEMBL871850 single protein format
CHEMBL3819441 OBDepict HO O O N H N H H O F Cl ClH IC50 = 1.1 nM 417.26 Cl.O=C(O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O Homo sapiens CHEMBL3821817 cell-based format
CHEMBL1085831 OBDepict CH 3 N H N S O O N F IC50 = 1.1 nM 349.43 CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O Homo sapiens CHEMBL1120740 cell-based format
CHEMBL1812745 OBDepict H 3 C O O H H N H H 3 C H H 3 C Cl IC50 = 1.1 nM 307.82 COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(C)c2)C[C@@H]2CC[C@H]1N2C Homo sapiens CHEMBL1815454 cell-based format
CHEMBL3323095 OBDepict CH 3 N S Ki = 1.2 nM 279.41 CN1Cc2ccccc2C(c2ccc3sccc3c2)C1 Homo sapiens CHEMBL3705836 cell-based format
CHEMBL4753874 OBDepict CH 3 O NH O H NH H O Cl Cl ClH IC50 = 1.2 nM 383.7 COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl Homo sapiens CHEMBL4717570 cell-based format
CHEMBL411262 OBDepict F O S H H O NH Ki = 1.21 nM 361.48 FCCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL947039 cell-based format
CHEMBL3323173 OBDepict CH 3 N CH 3 S IC50 = 1.3 nM 293.44 Cc1ccc2c(c1)CN(C)CC2c1ccc2sccc2c1 Homo sapiens CHEMBL3379356 cell-based format
CHEMBL272002 OBDepict H 3 C O O O H H O HN Ki = 1.32 nM 327.38 COC(=O)c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL947039 cell-based format
CHEMBL270099 OBDepict H 3 C O O S H H O HN Ki = 1.35 nM 343.45 COC(=O)c1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL947039 cell-based format
CHEMBL208251 OBDepict CH 3 H 3 C N NH Cl OH O O OH Ki = 1.4 nM 396.92 CC(C)CN(Cc1ccccc1Cl)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853189 single protein format
CHEMBL311347 OBDepict H 3 C O O H N H CH 3 H I Ki = 1.4 nM 385.25 COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C Homo sapiens CHEMBL753705 cell-based format
CHEMBL3663917 OBDepict CH 3 N N N S Ki = 1.4 nM 357.48 CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3sccc3c2)C1 Homo sapiens CHEMBL3705836 cell-based format
CHEMBL3818946 OBDepict Cl F H O H N H N O N N N H N ClH IC50 = 1.4 nM 441.29 Cl.O=c1c(-c2nnn[nH]2)cccn1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL4227444 OBDepict H 3 C NH H HO H Ki = 1.5 nM 291.39 CNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1 Homo sapiens CHEMBL4219695 cell-based format
CHEMBL2386163 OBDepict OH O OH HO O HO CH 3 O N CH 3 O H H N H CH 3 CH 3 Ki = 1.5 nM 428.48 COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1.O=C(O)C(O)C(O)C(=O)O Homo sapiens CHEMBL2389182 cell-based format
CHEMBL502379 OBDepict H 3 C NH OH H O H 3 C IC50 = 1.5 nM 297.4 CCc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CNC Homo sapiens CHEMBL963839 cell-based format
CHEMBL4754287 OBDepict CH 3 NH O H NH H O Cl Cl ClH IC50 = 1.5 nM 367.7 CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl Homo sapiens CHEMBL4717570 cell-based format
CHEMBL295467 OBDepict H 3 C NH O O CH 3 Ki = 1.6 nM 271.36 CNCCC(Oc1ccccc1OC)c1ccccc1 Homo sapiens CHEMBL839633 cell-based format
CHEMBL402441 OBDepict HC N O CH H NH 2 O O IC50 = 1.7 nM 324.38 C#CCN(CC#C)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN Homo sapiens CHEMBL930494 single protein format
CHEMBL4761826 OBDepict O N H H N H H O F Cl ClH IC50 = 1.7 nM 399.29 Cl.O=C(NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 Homo sapiens CHEMBL4717570 cell-based format
CHEMBL391864 OBDepict H 3 C O O H H NH H H F H 3 C Ki = 1.78 nM 277.34 COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 Homo sapiens CHEMBL893332 cell-based format
CHEMBL441358 OBDepict CH 3 H 3 C N NH F F F F HO O O OH Ki = 1.8 nM 448.46 CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853189 single protein format
CHEMBL383921 OBDepict H 3 C O O H H O N H IC50 = 1.8 nM 313.4 CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 Homo sapiens CHEMBL4714159 cell-based format
CHEMBL361259 OBDepict CH 3 S H N H Ki = 1.82 nM 295.45 CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1 Homo sapiens CHEMBL744178 single protein format
CHEMBL394158 OBDepict H 3 C O O H H HN H H CH Ki = 1.86 nM 269.34 C#Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1 Homo sapiens CHEMBL893332 cell-based format
CHEMBL3819009 OBDepict Cl F H O H N H N O N N O H O ClH IC50 = 1.9 nM 457.29 Cl.O=c1[nH]c(-c2ccn(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(F)c3)c(=O)c2)no1 Homo sapiens CHEMBL3821817 cell-based format
CHEMBL398370 OBDepict H 3 C O O H H NH H H I Ki = 1.98 nM 371.22 COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 Homo sapiens CHEMBL893332 cell-based format
CHEMBL207860 OBDepict CH 3 CH 3 N HN Cl Cl HO O O OH Ki = 2.0 nM 431.36 CC(C)CN(Cc1ccc(Cl)cc1Cl)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853189 single protein format
CHEMBL574008 OBDepict F O HN F Ki = 2.0 nM 303.35 Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1 Homo sapiens CHEMBL1047378 cell-based format
CHEMBL3323089 OBDepict CH 3 N O Ki = 2.0 nM 263.34 CN1Cc2ccccc2C(c2ccc3occc3c2)C1 Homo sapiens CHEMBL3705836 cell-based format
CHEMBL3704751 OBDepict CH 3 O HN O N H CH 3 H 3 C O CH 3 Ki = 2.0 nM 376.54 CCOC(=O)NCCNC(CC(C)C)C1(c2ccc(OCC)cc2)CCC1 Homo sapiens CHEMBL3707854 single protein format
CHEMBL3323094 OBDepict CH 3 N O Ki = 2.0 nM 263.34 CN1Cc2ccccc2C(c2cccc3ccoc23)C1 Homo sapiens CHEMBL3705836 cell-based format
CHEMBL1083429 OBDepict CH 3 N H OH H N S O O N F F IC50 = 2.0 nM 383.42 CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O Homo sapiens CHEMBL1120740 cell-based format
CHEMBL3593395 OBDepict OH H NH H O Cl Cl ClH IC50 = 2.0 nM 312.62 Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3595873 cell-based format
CHEMBL462384 OBDepict CH 3 HN OH H O S H 3 C IC50 = 2.0 nM 315.44 CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1SC Homo sapiens CHEMBL963839 cell-based format
CHEMBL562244 OBDepict N H O N IC50 = 2.0 nM 344.46 c1ccc(-c2ccccc2OC(c2cccnc2)C2CCNCC2)cc1 Homo sapiens CHEMBL1024552 cell-based format
CHEMBL1083393 OBDepict CH 3 N H OH N S O O N IC50 = 2.0 nM 347.44 CNCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O Homo sapiens CHEMBL1120739 cell-based format
CHEMBL512044 OBDepict CH 3 HN OH H O CH 3 H 3 C IC50 = 2.0 nM 297.4 CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C Homo sapiens CHEMBL963839 cell-based format
CHEMBL1083409 OBDepict CH 3 N H OH H N S O O N IC50 = 2.0 nM 347.44 CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O Homo sapiens CHEMBL1120740 cell-based format
CHEMBL4226716 OBDepict H 3 C O H H N H H 3 C H Cl Cl IC50 = 2.0 nM 314.26 COC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C Homo sapiens CHEMBL4219662 single protein format
CHEMBL272003 OBDepict CH 3 S O H H O N H Ki = 2.06 nM 315.44 CSc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 Homo sapiens CHEMBL947039 cell-based format
CHEMBL3593274 OBDepict OH HN Cl Cl ClH IC50 = 2.1 nM 310.65 Cl.OCC1(c2ccc(Cl)c(Cl)c2)CCCNCC1 Homo sapiens CHEMBL3595873 cell-based format
CHEMBL208232 OBDepict CH 3 CH 3 N HN F F F F HO O O OH Ki = 2.2 nM 448.46 CC(C)CN(Cc1ccc(C(F)(F)F)cc1F)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853189 single protein format
CHEMBL377785 OBDepict CH 3 N CH 2 IC50 = 2.2 nM 239.36 C=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3 Homo sapiens CHEMBL909755 single protein format
CHEMBL101905 OBDepict CH 3 H H N CH 2 IC50 = 2.2 nM 239.36 C=C1CN2C3CC[C@@H]2C[C@H](c2ccc(C)cc2)C13 Homo sapiens CHEMBL751376 cell-based format
CHEMBL3704754 OBDepict H 2 N O HN H 3 C H Cl Cl Ki = 2.3 nM 371.35 C[C@@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1 Homo sapiens CHEMBL3707854 single protein format
CHEMBL597968 OBDepict CH 3 HN HO H N H F CH 3 ClH IC50 = 2.3 nM 350.87 CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(C)ccc21.Cl Homo sapiens CHEMBL1072383 cell-based format
CHEMBL512851 OBDepict H 2 C N O CH 2 S H NH 2 IC50 = 2.3 nM 276.41 C=CCN(CC=C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN Homo sapiens CHEMBL948470 cell-based format
CHEMBL3593402 OBDepict CH 3 NH O H NH H O F Cl ClH IC50 = 2.3 nM 337.22 CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl Homo sapiens CHEMBL3595873 cell-based format
CHEMBL3663918 OBDepict CH 3 N O N N Ki = 2.4 nM 341.41 CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3o2)C1 Homo sapiens CHEMBL3705836 cell-based format
CHEMBL14531 OBDepict Br NH O O CH 3 Ki = 2.5 nM 350.26 COC(=O)C1C2CCC(CC1c1ccc(/C=CBr)cc1)N2 Homo sapiens CHEMBL753703 cell-based format
CHEMBL3913012 OBDepict CH 3 N Cl N N H Ki = 2.6 nM 297.79 CN1Cc2ccccc2C(c2ccc3[nH]ncc3c2)C1Cl Homo sapiens CHEMBL3705836 cell-based format
CHEMBL3323089 OBDepict CH 3 N O IC50 = 2.6 nM 263.34 CN1Cc2ccccc2C(c2ccc3occc3c2)C1 Homo sapiens CHEMBL3379356 cell-based format
CHEMBL4777709 OBDepict CH 3 NH O H NH H O Cl Cl ClH IC50 = 2.6 nM 381.73 CCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl Homo sapiens CHEMBL4717570 cell-based format
CHEMBL4792902 OBDepict O N H O O H N H H O F Cl ClH IC50 = 2.6 nM 409.29 Cl.O=C(NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1)C1COCCO1 Homo sapiens CHEMBL4717570 cell-based format
CHEMBL208420 OBDepict CH 3 H 3 C H 3 C N NH F F F HO O O OH Ki = 2.7 nM 444.49 CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853189 single protein format
CHEMBL255663 OBDepict H 2 C N O CH 2 H S NH 2 IC50 = 2.7 nM 276.41 C=CCN(CC=C)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN Homo sapiens CHEMBL931354 cell-based format
CHEMBL591928 OBDepict H 3 C NH HO H N H CH 3 CH 3 F ClH IC50 = 2.7 nM 364.89 CNC[C@@H](O)[C@H](c1ccccc1)N1CC(C)(C)c2cccc(F)c21.Cl Homo sapiens CHEMBL1072383 cell-based format
CHEMBL3704757 OBDepict H 3 C O H 3 C H NH O NH 2 Ki = 2.79 nM 346.52 CCOc1ccc(C2(C[C@@H](C)CCNCCCC(N)=O)CCC2)cc1 Homo sapiens CHEMBL3707854 single protein format
CHEMBL255450 OBDepict H 2 C N O HC H S NH 2 IC50 = 2.8 nM 274.39 C#CCN(CC=C)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN Homo sapiens CHEMBL931354 cell-based format
CHEMBL3323178 OBDepict H 2 N N CH 3 S IC50 = 2.9 nM 308.45 CN1Cc2cc(CN)ccc2C(c2ccc3sccc3c2)C1 Homo sapiens CHEMBL3379356 cell-based format
CHEMBL401677 OBDepict NH 2 H N O O CH 2 CH 3 O IC50 = 2.9 nM 302.37 C=CN(CC)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN Homo sapiens CHEMBL931354 cell-based format
CHEMBL427904 OBDepict CH 2 N O H 3 C H NH 2 O O IC50 = 2.9 nM 316.4 C=CCN(CC)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN Homo sapiens CHEMBL930494 single protein format