HOME LIGAND hPROTEOME OTHERS DOCUMENT

O00255 | MEN1_HUMAN | Menin (MEN1)

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
CHEMBL4211366 OBDepict HO N H H N O IC50 = 1.0 nM 352.48 O=c1cccc2n1[C@@H]1C[C@H](C2)CN(CC(O)CCCc2ccccc2)C1 Homo sapiens CHEMBL4186850 single protein format
CHEMBL4585198 OBDepict H 3 C N N N S O O N Ki = 1.0 nM 598.86 CCN1Cc2ccccc2C(C2CCCC2)(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5ccncc5)cc4)C3)CC2)C1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4449199 OBDepict O S O N N N HN Ki = 1.7 nM 570.8 O=S(=O)(c1ccncc1)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)CNCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4516680 OBDepict CH 3 N N N S O O N Ki = 2.0 nM 584.83 CN1Cc2ccccc2C(C2CCCC2)(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5ccncc5)cc4)C3)CC2)C1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4578509 OBDepict O S O N N NH Ki = 2.4 nM 575.86 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CCCCC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4458829 OBDepict H 3 C HN O O H H N N N N Ki = 2.7 nM 511.67 CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4216801 OBDepict N N CH 3 H O NH N O HN N N S F F F IC50 = 3.6 nM 597.67 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2C[C@@H]1CNC(=O)CO1 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL4164572 OBDepict F F F S N N N N S O O NH 2 IC50 = 4.0 nM 525.62 NS(=O)(=O)Cc1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1 Homo sapiens CHEMBL4149708 assay format
CHEMBL4476073 OBDepict O S O N N N HN Ki = 4.6 nM 570.8 O=S(=O)(c1ccncc1)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4459554 OBDepict O S O N N NH Ki = 4.6 nM 561.84 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CCCC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4436641 OBDepict O S O N N HN Ki = 5.6 nM 569.82 O=S(=O)(c1ccccc1)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4585198 OBDepict H 3 C N N N S O O N IC50 = 6.0 nM 598.86 CCN1Cc2ccccc2C(C2CCCC2)(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5ccncc5)cc4)C3)CC2)C1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4470192 OBDepict O S O N N NH Ki = 7.0 nM 533.78 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4218724 OBDepict N N CH 3 O N H N O HN N N S F F F IC50 = 7.5 nM 597.67 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC1CNC(=O)CO1 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL4449199 OBDepict O S O N N N HN IC50 = 8.0 nM 570.8 O=S(=O)(c1ccncc1)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)CNCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4568235 OBDepict H 3 C O NH O H H N N N N Ki = 8.5 nM 511.67 COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4452253 OBDepict H 3 C O O H H N N N N Ki = 9.7 nM 510.68 CCC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4578509 OBDepict O S O N N NH IC50 = 10.0 nM 575.86 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CCCCC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4171091 OBDepict CH 3 S O O H 2 N N N N N S F F F IC50 = 10.0 nM 539.65 CC(c1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1)S(N)(=O)=O Homo sapiens CHEMBL4149708 assay format
CHEMBL4460234 OBDepict CH 3 S O O N N NH Ki = 10.0 nM 521.77 CCS(=O)(=O)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4163807 OBDepict HO N H 3 C N N N N S F F F IC50 = 10.0 nM 505.61 CN(CCO)c1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1 Homo sapiens CHEMBL4149708 assay format
CHEMBL4174529 OBDepict F F F S N N N N S O O NH 2 IC50 = 10.0 nM 525.62 NS(=O)(=O)Cc1ccc(CN2CCC3(CCN(c4ncnc5cc(CC(F)(F)F)sc45)C3)C2)cc1 Homo sapiens CHEMBL4149708 assay format
CHEMBL4174165 OBDepict F F S N N N N N O IC50 = 10.0 nM 499.63 FC(F)Cc1cc2c(N3CCC4(CCN(Cc5ccc(N6CCOCC6)cc5)C4)C3)ncnc2s1 Homo sapiens CHEMBL4149708 assay format
CHEMBL4166615 OBDepict CH 2 NH O N N N N S F F F IC50 = 10.0 nM 501.58 C=CC(=O)Nc1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1 Homo sapiens CHEMBL4149708 assay format
CHEMBL4163173 OBDepict HO N H S O O N N N N S F F F IC50 = 10.0 nM 569.68 O=S(=O)(Cc1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1)NCCO Homo sapiens CHEMBL4149708 assay format
CHEMBL4581439 OBDepict O S O N N NH Ki = 11.0 nM 547.81 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CCC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4446177 OBDepict N N N N H Ki = 11.0 nM 454.66 N#Cc1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4516680 OBDepict CH 3 N N N S O O N IC50 = 11.0 nM 584.83 CN1Cc2ccccc2C(C2CCCC2)(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5ccncc5)cc4)C3)CC2)C1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4458829 OBDepict H 3 C HN O O H H N N N N IC50 = 11.0 nM 511.67 CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4453006 OBDepict N H H O N O H 3 C N N Ki = 12.0 nM 496.66 CC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4209476 OBDepict N N CH 3 N N H HN N N S F F F IC50 = 14.0 nM 595.74 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCC1CCNCC1 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL3780822 OBDepict N N CH 3 N N N H NH N N S F F F IC50 = 14.7 nM 564.64 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1 Homo sapiens CHEMBL4186852 single protein format
CHEMBL4203695 OBDepict N N CH 3 N N N H HN N N S F F F IC50 = 15.0 nM 596.73 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CCNCC1 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL4476073 OBDepict O S O N N N HN IC50 = 17.0 nM 570.8 O=S(=O)(c1ccncc1)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4459554 OBDepict O S O N N NH IC50 = 17.0 nM 561.84 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CCCC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4172162 OBDepict N N N N N S F F F IC50 = 20.0 nM 471.55 N#CCc1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1 Homo sapiens CHEMBL4149708 assay format
CHEMBL4436641 OBDepict O S O N N HN IC50 = 20.0 nM 569.82 O=S(=O)(c1ccccc1)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4172458 OBDepict N H 3 C H 3 C N N N N S F F F IC50 = 20.0 nM 499.61 CC(C)(C#N)c1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1 Homo sapiens CHEMBL4149708 assay format
CHEMBL4467100 OBDepict H 3 C S CH 3 O O N N HN Ki = 21.0 nM 535.8 CC(C)S(=O)(=O)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4448045 OBDepict N O N NH Ki = 22.0 nM 443.64 N#Cc1ccc(OCCCN2CCC(C3(C4CCCC4)NCCc4ccccc43)CC2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4218853 OBDepict N N CH 3 N N O HN N N S F F F IC50 = 22.0 nM 597.71 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CCOCC1 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL4470192 OBDepict O S O N N NH IC50 = 25.0 nM 533.78 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4466955 OBDepict N N N N H Ki = 27.0 nM 468.69 N#Cc1ccc(N2CCC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4568235 OBDepict H 3 C O NH O H H N N N N IC50 = 29.0 nM 511.67 COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4565646 OBDepict N H H NH N O H 3 C N N Ki = 32.0 nM 495.67 CC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3780895 OBDepict N N H CH 3 N HN N N S F F F IC50 = 32.0 nM 484.55 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2[nH]c(C#N)cc12 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL4217916 OBDepict N N CH 3 N N N H NH N N S F F F IC50 = 33.0 nM 564.64 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cc[nH]n1 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL4452253 OBDepict H 3 C O O H H N N N N IC50 = 33.0 nM 510.68 CCC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4460234 OBDepict CH 3 S O O N N NH IC50 = 34.0 nM 521.77 CCS(=O)(=O)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4446177 OBDepict N N N N H IC50 = 36.0 nM 454.66 N#Cc1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4581439 OBDepict O S O N N NH IC50 = 36.0 nM 547.81 O=S(=O)(c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1)C1CCC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4453006 OBDepict N H H O N O H 3 C N N IC50 = 40.0 nM 496.66 CC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4592512 OBDepict CH 3 S O O N N HN Ki = 45.0 nM 507.74 CS(=O)(=O)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3586090 OBDepict F F F S N N N N N S H 3 C CH 3 IC50 = 46.0 nM 415.51 CC1(C)CN=C(N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)S1 Homo sapiens CHEMBL3614558 cell-based format
CHEMBL4206413 OBDepict H 3 C CH 3 S N N N N N S F F F IC50 = 46.0 nM 401.48 CC1(C)CN=C(N2CCN(c3ncnc4sc(C(F)(F)F)cc34)CC2)S1 Homo sapiens CHEMBL4186852 single protein format
CHEMBL3126198 OBDepict N O N NH 2 IC50 = 56.0 nM 417.6 N#Cc1ccc(OCCCN2CCC([C@@](N)(c3ccccc3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3126196 OBDepict N O N NH 2 Ki = 58.0 nM 417.6 N#Cc1ccc(OCCCN2CCC(C(N)(c3ccccc3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3613789 OBDepict F F S N N N N N S H 3 C CH 3 IC50 = 65.0 nM 397.52 CC1(C)CN=C(N2CCN(c3ncnc4sc(CC(F)F)cc34)CC2)S1 Homo sapiens CHEMBL3614558 cell-based format
CHEMBL3126196 OBDepict N O N NH 2 IC50 = 67.0 nM 417.6 N#Cc1ccc(OCCCN2CCC(C(N)(c3ccccc3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL4467100 OBDepict H 3 C S CH 3 O O N N HN IC50 = 67.0 nM 535.8 CC(C)S(=O)(=O)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4448045 OBDepict N O N NH IC50 = 71.0 nM 443.64 N#Cc1ccc(OCCCN2CCC(C3(C4CCCC4)NCCc4ccccc43)CC2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL4216333 OBDepict NH 2 N Cl Ki = 80.0 nM 409.02 NCC(CCN1CC=C(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCC1 Homo sapiens CHEMBL4186853 single protein format
CHEMBL3126197 OBDepict N O N NH 2 IC50 = 81.0 nM 417.6 N#Cc1ccc(OCCCN2CCC([C@](N)(c3ccccc3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3613786 OBDepict F F N S N N N N N S F F F IC50 = 82.0 nM 436.44 FC(F)c1nnc(N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)s1 Homo sapiens CHEMBL3614558 cell-based format
CHEMBL4466955 OBDepict N N N N H IC50 = 88.0 nM 468.69 N#Cc1ccc(N2CCC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3126194 OBDepict N O N OH N F IC50 = 90.0 nM 445.54 N#Cc1ccc(OCCCN2CCC([C@@](O)(c3cccc(F)c3)c3ccccn3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3613784 OBDepict F F F S N N N N N S N F F F IC50 = 92.0 nM 454.43 FC(F)(F)Cc1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1 Homo sapiens CHEMBL3614558 cell-based format
CHEMBL4565646 OBDepict N H H NH N O H 3 C N N IC50 = 102.0 nM 495.67 CC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3126199 OBDepict HO N N O S O O NH 2 IC50 = 114.0 nM 473.64 NS(=O)(=O)c1ccc(OCCCN2CCC(C(O)(c3ccccn3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL4210580 OBDepict N N CH 3 H O NH N O HN N N S F F F IC50 = 123.0 nM 597.67 Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2C[C@H]1CNC(=O)CO1 Homo sapiens CHEMBL4189777 cell-based format
CHEMBL4592512 OBDepict CH 3 S O O N N HN IC50 = 143.0 nM 507.74 CS(=O)(=O)c1ccc(N2CC(CN3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3126200 OBDepict F OH N N O S O O NH 2 IC50 = 148.0 nM 499.61 NS(=O)(=O)c1ccc(OCCCN2CCC(C(O)(c3cccc(F)c3)c3ccccn3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3126201 OBDepict N O N OH N IC50 = 195.0 nM 419.57 N#Cc1ccc(OCCCN2CCC([C@](O)(c3ccccn3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3126188 OBDepict N O N HO F IC50 = 197.0 nM 436.57 N#Cc1ccc(OCCCN2CCC(C(O)(c3cccc(F)c3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL4537683 OBDepict N N N HN Ki = 207.0 nM 468.69 N#Cc1ccc(N2CCC(N3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)CC2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3126193 OBDepict N O N OH N F IC50 = 225.0 nM 445.54 N#Cc1ccc(OCCCN2CCC(C(O)(c3cccc(F)c3)c3ccccn3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3126190 OBDepict N O N HO Cl IC50 = 226.0 nM 453.03 N#Cc1ccc(OCCCN2CCC(C(O)(c3cccc(Cl)c3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3126192 OBDepict N O N HO N S IC50 = 242.0 nM 425.6 N#Cc1ccc(OCCCN2CCC(C(O)(c3nccs3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3613788 OBDepict F S N N N N N S H 3 C CH 3 IC50 = 260.0 nM 379.53 CC1(C)CN=C(N2CCN(c3ncnc4sc(CCF)cc34)CC2)S1 Homo sapiens CHEMBL3614558 cell-based format
CHEMBL3126187 OBDepict N O N OH IC50 = 270.0 nM 418.58 N#Cc1ccc(OCCCN2CCC([C@@](O)(c3ccccc3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3126191 OBDepict N O N OH N IC50 = 302.0 nM 419.57 N#Cc1ccc(OCCCN2CCC(C(O)(c3ccccn3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL4453547 OBDepict CH 3 O O H H N N N N Ki = 350.0 nM 524.71 CCCC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(c1ccccc1)C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3126185 OBDepict N O N OH IC50 = 390.0 nM 418.58 N#Cc1ccc(OCCCN2CCC(C(O)(c3ccccc3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3586089 OBDepict H 3 C S N N N N N S H 3 C H 3 C IC50 = 430.0 nM 375.57 CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1 Homo sapiens CHEMBL3705759 single protein format
CHEMBL3126189 OBDepict N O N OH F F IC50 = 436.0 nM 454.56 N#Cc1ccc(OCCCN2CCC(C(O)(c3cc(F)cc(F)c3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL3124953 OBDepict N O N OH IC50 = 529.0 nM 418.58 N#Cc1ccc(OCCCN2CCC([C@](O)(c3ccccc3)C3CCCC3)CC2)cc1 Homo sapiens CHEMBL3130541 single protein format
CHEMBL4537683 OBDepict N N N HN IC50 = 650.0 nM 468.69 N#Cc1ccc(N2CCC(N3CCC(C4(C5CCCC5)NCCc5ccccc54)CC3)CC2)cc1 Homo sapiens CHEMBL4366888 single protein format
CHEMBL3696180 OBDepict CH 3 H 3 C S N N N N N S H 3 C H 3 C IC50 = 650.0 nM 375.57 CC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1 Homo sapiens CHEMBL3705759 single protein format
CHEMBL3613790 OBDepict H 3 C CH 3 S N N N N N S F F F F F IC50 = 674.0 nM 451.49 CC1(C)CN=C(N2CCN(c3ncnc4sc(C(F)(F)C(F)(F)F)cc34)CC2)S1 Homo sapiens CHEMBL3614558 cell-based format
CHEMBL3612085 OBDepict CH 3 N S N N N N N S F F F IC50 = 779.0 nM 400.45 Cc1nnc(N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)s1 Homo sapiens CHEMBL3614558 cell-based format
CHEMBL4216333 OBDepict NH 2 N Cl IC50 = 830.0 nM 409.02 NCC(CCN1CC=C(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCC1 Homo sapiens CHEMBL4186853 single protein format
CHEMBL4533602 OBDepict N N N N Ki = 960.0 nM 438.62 N#Cc1ccc(N2CC(CN3CCC(C(C#N)(c4ccccc4)C4CCCC4)CC3)C2)cc1 Homo sapiens CHEMBL4366888 single protein format