HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q15119 | PDK2_HUMAN | "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial" (PDK2)

3D structures mapped by conservation among orthologs

[ Domain: "ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase" // HATPase_c ]

download pymol session

[ Domain: "alpha-ketoacid dehydrogenase kinase-N" // BCDHK_Adom3 ]

download pymol session



[ 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
CHEMBL3673097 OBDepict NH 2 O N H 3 C H 3 C N O HO F F F OH H 3 C H 3 C IC50 = 4.2 nM 517.55 CC(C)(O)CCCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705739 cell-based format
CHEMBL3673096 OBDepict NH 2 O N H 3 C H 3 C N O HO F F F OH CH 3 H 3 C IC50 = 4.6 nM 503.52 CC(C)(O)CCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705739 cell-based format
CHEMBL3673095 OBDepict F OH F F F N N H 3 C CH 3 O H 2 N IC50 = 5.1 nM 419.38 CC(C)(C(N)=O)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705739 cell-based format
CHEMBL3673092 OBDepict H 2 N O N N O HO F F F HO IC50 = 5.1 nM 567.61 NC(=O)Cn1cc(-c2cc(OCCC34CC5CC(CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705739 cell-based format
CHEMBL3673094 OBDepict OH N N O HO F F F OH H 3 C H 3 C IC50 = 6.7 nM 448.44 CC(C)(O)COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705739 cell-based format
CHEMBL3673093 OBDepict H 3 C N N O OH F F F OH H 3 C H 3 C IC50 = 7.4 nM 418.42 Cn1cc(-c2cc(OCC(C)(C)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705739 cell-based format
CHEMBL4579004 OBDepict H H 3 C N N O O H H 3 C OH CH 3 F F F N IC50 = 7.8 nM 383.37 C[C@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](C)CN1C(=O)[C@](C)(O)C(F)(F)F Homo sapiens CHEMBL4413248 single protein format
CHEMBL4591977 OBDepict Br S N O OH HO N O H 3 C CH 3 IC50 = 8.0 nM 475.36 CN(C)C(=O)c1ccc(N(Cc2cc(Br)cs2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403261 single protein format
CHEMBL4575355 OBDepict Br O N O OH HO N O H 3 C CH 3 IC50 = 10.0 nM 459.3 CN(C)C(=O)c1ccc(N(Cc2ccc(Br)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403261 single protein format
CHEMBL3681809 OBDepict OH O HO N N F F F HO IC50 = 14.0 nM 448.44 OCCCCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681734 OBDepict OH N N CH 3 HO F F F IC50 = 15.0 nM 428.45 Cc1cc(-c2cnn(C3(CO)CCCC3)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681729 OBDepict H 2 N O N N O HO F F F HO IC50 = 15.0 nM 567.61 NC(=O)Cn1cc(-c2cc(OCCC34CC5CC(CC(O)(C5)C3)C4)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681843 OBDepict HO N N HO OH H 3 C CH 3 F F F IC50 = 15.0 nM 444.45 CC(C)=Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681730 OBDepict HO N N O HO F F F HO IC50 = 15.0 nM 554.61 OCCn1cc(-c2cc(OCCC34CC5CC(CC(O)(C5)C3)C4)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681736 OBDepict OH N N F HO F F F IC50 = 16.0 nM 432.42 OCC1(n2cc(-c3cc(F)cc4c3-c3ccccc3C4(O)C(F)(F)F)cn2)CCCC1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681728 OBDepict H 3 C N N O OH F F F HO IC50 = 16.0 nM 524.58 Cn1cc(-c2cc(OCCC34CC5CC(CC(O)(C5)C3)C4)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681733 OBDepict OH N N F HO F F F IC50 = 17.0 nM 446.44 OCC1(n2cc(-c3cc(F)cc4c3-c3ccccc3C4(O)C(F)(F)F)cn2)CCCCC1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681740 OBDepict HO O O OH N N F F F H 3 C IC50 = 17.0 nM 446.43 Cn1cc(-c2cc(OCCCCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681845 OBDepict OH HO N N F F F IC50 = 17.0 nM 442.48 OCc1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676634 OBDepict Cl HO F F F N N CH 3 IC50 = 17.0 nM 364.75 Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681761 OBDepict H 3 C N N O OH F F F N N N H N IC50 = 18.0 nM 456.43 Cn1cc(-c2cc(OCCCc3nnn[nH]3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL4551410 OBDepict Br S N O OH HO N O H 3 C CH 3 IC50 = 18.0 nM 475.36 CN(C)C(=O)c1ccc(N(Cc2ccc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403261 single protein format
CHEMBL3681842 OBDepict OH N OH N CH 3 HO F F F IC50 = 18.0 nM 418.42 Cc1cc(-c2cnn(CC(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681668 OBDepict NH 2 O O HO N N F F F CH 3 IC50 = 18.0 nM 403.36 Cn1cc(-c2cc(OCC(N)=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681676 OBDepict HO N N O OH F F F O H 2 N IC50 = 18.0 nM 433.39 NC(=O)COc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681741 OBDepict OH O O HO N N F F F CH 3 H 3 C IC50 = 18.0 nM 460.45 CC(C)n1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681753 OBDepict OH HO H N N F HO F F F IC50 = 18.0 nM 408.35 OC[C@@H](O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3686492 OBDepict OH N N OH HO CH 3 HO F F F IC50 = 19.0 nM 434.41 Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681767 OBDepict CH 3 N N OH N N F F F CH 3 IC50 = 19.0 nM 410.4 Cn1cc(-c2cc(-c3cnn(C)c3)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676775 OBDepict O N CH 3 H 3 C O OH N N F F F IC50 = 19.0 nM 457.45 CN(C)C(=O)CCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681769 OBDepict CH 3 O HO F F F N N O OH IC50 = 19.0 nM 432.4 CCOc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681791 OBDepict OH N N OH CH 3 HO F F F IC50 = 19.0 nM 404.39 Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676773 OBDepict H 3 C N N O OH F F F N O CH 3 CH 3 IC50 = 20.0 nM 459.47 CN(C)C(=O)CCCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676633 OBDepict O N CH 3 CH 3 H 3 C N OH N F F F IC50 = 20.0 nM 495.55 CC(C)(C)C(=O)N1CCN(c2cc(-c3cccnc3)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681854 OBDepict HO N N HO OH F HO F F F IC50 = 20.0 nM 438.38 OCC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681687 OBDepict H N N O OH F F F N O IC50 = 20.0 nM 443.43 O=C1CCCN1CCOc1cc(-c2cn[nH]c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681742 OBDepict CH 3 N N O HO F F F O OH IC50 = 20.0 nM 446.43 CCn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681674 OBDepict HO N O O OH N N F F F H 3 C IC50 = 20.0 nM 459.42 Cn1cc(-c2cc(OCC(=O)N3CC(O)C3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676769 OBDepict CH 3 N N O HO F F F N CH 3 O CH 3 IC50 = 21.0 nM 445.44 CC(=O)N(C)CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681775 OBDepict CH 3 N N O H 3 C OH F F F IC50 = 21.0 nM 386.37 CCn1cc(-c2cc(C(C)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676771 OBDepict HO N O CH 3 O HO N N F F F CH 3 IC50 = 21.0 nM 461.44 CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681770 OBDepict CH 3 O HO F F F N N O HO IC50 = 21.0 nM 446.43 CCOc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681768 OBDepict OH N N OH N N F F F OH IC50 = 21.0 nM 470.45 OCCn1cc(-c2cc(-c3cnn(CCO)c3)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681754 OBDepict OH HO H N N F HO F F F IC50 = 21.0 nM 408.35 OC[C@H](O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676758 OBDepict H 3 C N N O OH F F F N O IC50 = 22.0 nM 457.45 Cn1cc(-c2cc(OCCN3CCCC3=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681732 OBDepict F HO F F F N N HO IC50 = 22.0 nM 446.44 OC1(Cn2cc(-c3cc(F)cc4c3-c3ccccc3C4(O)C(F)(F)F)cn2)CCCCC1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681783 OBDepict OH N N OH F OH F F F IC50 = 22.0 nM 408.35 OCC(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3639805 OBDepict HO H 3 C CH 3 N O CH 3 O HO N N F F F CH 3 IC50 = 22.0 nM 503.52 CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)CO Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681847 OBDepict OH N H 3 C N OH F OH F F F IC50 = 22.0 nM 422.38 CC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681765 OBDepict CH 3 N N O HO F F F H 3 C O HO IC50 = 23.0 nM 446.43 CC(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)O Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681692 OBDepict HO N N O OH F F F N O IC50 = 23.0 nM 473.45 O=C(COc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676770 OBDepict OH N O CH 3 O OH N N F F F IC50 = 23.0 nM 459.42 CN(CCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676768 OBDepict H 3 C N O H 3 C O OH N N F F F IC50 = 23.0 nM 443.43 CC(=O)N(C)CCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676772 OBDepict OH O HO N N F F F CH 3 IC50 = 24.0 nM 418.42 Cn1cc(-c2cc(OCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681681 OBDepict HO N N O OH F F F N O IC50 = 24.0 nM 487.48 O=C1CCCN1CCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676774 OBDepict HO O HO N N F F F IC50 = 25.0 nM 416.4 OCCCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681833 OBDepict CH 3 HO F F F N N OH OH IC50 = 25.0 nM 430.43 C/C=C/c1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676752 OBDepict HO O HO N N F F F IC50 = 25.0 nM 430.43 OCCCCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681777 OBDepict CH 3 O HO F F F N N O OH IC50 = 25.0 nM 432.4 COc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681702 OBDepict NH 2 O N N CH 3 HO F F F IC50 = 26.0 nM 387.36 Cc1cc(-c2cnn(CC(N)=O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681726 OBDepict HO O N N CH 3 HO F F F IC50 = 26.0 nM 402.37 Cc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681656 OBDepict CH 3 N N O HO F F F N O CH 3 H 3 C IC50 = 26.0 nM 445.44 CN(C)C(=O)CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681672 OBDepict H 3 C N N O HO F F F N CH 3 O H 3 C CH 3 H 3 C IC50 = 26.0 nM 487.52 CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)C Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681773 OBDepict OH N N O CH 3 OH F F F IC50 = 26.0 nM 402.37 CC(=O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681737 OBDepict F HO F F F N N O HO IC50 = 27.0 nM 446.4 O=C(O)C1(n2cc(-c3cc(F)cc4c3-c3ccccc3C4(O)C(F)(F)F)cn2)CCCC1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681727 OBDepict OH O N N CH 3 HO F F F IC50 = 27.0 nM 416.4 Cc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681844 OBDepict OH N N OH HO F F F H 3 C H 3 C CH 3 IC50 = 27.0 nM 474.52 CC(C)(C)CCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681654 OBDepict OH O HO N N F F F CH 3 IC50 = 28.0 nM 404.39 Cn1cc(-c2cc(OCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681792 OBDepict HO O N N CH 3 HO F F F IC50 = 28.0 nM 430.43 Cc1cc(-c2cnn(CCCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681776 OBDepict CH 3 O HO F F F N N O OH IC50 = 29.0 nM 418.37 COc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681701 OBDepict NH 2 O N N Cl OH F F F IC50 = 30.0 nM 407.78 NC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681658 OBDepict H 3 C N N O OH F F F N O CH 3 CH 3 IC50 = 30.0 nM 431.41 CN(C)C(=O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681848 OBDepict F HO F F F N N OH H 3 C H 3 C IC50 = 30.0 nM 406.38 CC(C)(O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681852 OBDepict H 3 C HO F F F N N N N N N H IC50 = 30.0 nM 440.43 Cc1cc(-c2cnn(CCCc3nn[nH]n3)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681853 OBDepict HO N CH 3 N HO HO F F F IC50 = 30.0 nM 404.39 CC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681661 OBDepict OH N N Cl HO F F F IC50 = 30.0 nM 394.78 OCCn1cc(-c2cc(Cl)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681662 OBDepict OH N N N O OH F F F IC50 = 30.0 nM 443.43 O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681764 OBDepict HO O N H 3 C H 3 C N CH 3 HO F F F IC50 = 30.0 nM 430.43 Cc1cc(-c2cnn(C(C)(C)CC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681696 OBDepict CH 3 N N O OH F F F HO H N H 3 C O CH 3 IC50 = 31.0 nM 475.47 CC(=O)N(C)C[C@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3686491 OBDepict OH N N OH OH OH F F F IC50 = 31.0 nM 420.39 OCC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676753 OBDepict OH O HO N N F F F CH 3 IC50 = 31.0 nM 432.44 Cn1cc(-c2cc(OCCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681693 OBDepict HO N N O OH F F F N O HO IC50 = 31.0 nM 489.45 O=C(COc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681708 OBDepict CH 3 N H O N N Cl HO F F F IC50 = 32.0 nM 421.81 CNC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681697 OBDepict CH 3 N N O HO F F F N H 3 C O OH CH 3 H 3 C IC50 = 32.0 nM 489.49 CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)O Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676760 OBDepict H 3 C N N N O OH F F F IC50 = 32.0 nM 399.37 Cn1cc(-c2cc(C(=O)N3CC3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681642 OBDepict OH N O O OH N N F F F H 3 C IC50 = 32.0 nM 501.51 Cn1cc(-c2cc(OCC(=O)N3CCC(CO)CC3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681786 OBDepict O N O O CH 3 HO F F F IC50 = 33.0 nM 419.4 CC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681804 OBDepict CH 3 O HO F F F N N CH 3 CH 3 O OH IC50 = 33.0 nM 446.43 COc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681807 OBDepict HO O OH OH N N F F F H 3 C IC50 = 33.0 nM 434.41 Cn1cc(-c2cc(OCC(CO)CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681641 OBDepict HO N O O HO N N F F F CH 3 IC50 = 34.0 nM 473.45 Cn1cc(-c2cc(OCC(=O)N3CC(CO)C3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3676705 OBDepict OH O O HO N N F F F CH 3 IC50 = 34.0 nM 404.34 Cn1cc(-c2cc(OCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681841 OBDepict NH 2 O HO N N F F F IC50 = 34.0 nM 455.48 NC(=O)c1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681725 OBDepict OH O N N F HO F F F IC50 = 35.0 nM 420.36 O=C(O)CCCn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3671735 OBDepict O N H 3 C CH 3 N O CH 3 HO F F F IC50 = 36.0 nM 418.42 Cc1cc(C(=O)N2CC(C(=O)N(C)C)C2)cc2c1-c1ccccc1C2(O)C(F)(F)F Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681731 OBDepict OH O N N F HO F F F IC50 = 36.0 nM 406.33 O=C(O)CCn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681715 OBDepict NH 2 O N N Cl OH F F F IC50 = 36.0 nM 421.81 NC(=O)CCn1cc(-c2cc(Cl)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681834 OBDepict CH 3 HO F F F N N OH OH IC50 = 36.0 nM 432.44 CCCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681832 OBDepict HO OH N N F F F CH 3 CH 3 H 3 C IC50 = 36.0 nM 416.44 CC(C)(C)Cn1cc(-c2cc(CO)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681643 OBDepict H 3 C N N O OH F F F N O IC50 = 36.0 nM 443.43 Cn1cc(-c2cc(OCC(=O)N3CCC3)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL3705869 cell-based format
CHEMBL3681763 OBDepict CH 3 HO F F F N N CH 3 CH 3 O OH IC50 = 36.0 nM 430.43 Cc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705869 cell-based format