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Q01064 | PDE1B_HUMAN | "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B" (PDE1B)

3D structures mapped by conservation among orthologs

[ Domain: "HD-domain/PDEase-like" // PDEase_I ]

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[ 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
CHEMBL3601563 OBDepict CH 3 O O CH 3 N H Cl IC50 = 2.4 nM 339.82 COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4644729 OBDepict F N N NH O N H 3 C H N H 3 C CH 3 H 3 C Cl IC50 = 2.9 nM 453.95 C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613137 single protein format
CHEMBL4095097 OBDepict CH 3 O N S O N N N N F F O IC50 = 3.0 nM 501.56 COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4(F)F)cc1 Homo sapiens CHEMBL4011522 single protein format
CHEMBL3601549 OBDepict CH 3 O O N CH 3 N Cl IC50 = 4.0 nM 340.81 COc1ccc2c(C3CCc4ccc(Cl)cc43)ncnc2c1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4126270 OBDepict CH 3 O O N CH 3 N H Cl IC50 = 4.5 nM 340.81 COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)ncnc2c1OC Homo sapiens CHEMBL4122466 single protein format
CHEMBL3601550 OBDepict CH 3 O O N CH 3 N Br IC50 = 8.0 nM 385.26 COc1ccc2c(C3CCc4ccc(Br)cc43)ncnc2c1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4128481 OBDepict CH 3 O O N CH 3 N N H H 3 C H N N H CH 3 IC50 = 9.1 nM 327.39 COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122466 single protein format
CHEMBL4094575 OBDepict CH 3 O N S O N N N N O F F IC50 = 11.0 nM 471.49 COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(C(=O)C2CC2(F)F)CC4)cc1 Homo sapiens CHEMBL4011522 single protein format
CHEMBL4127641 OBDepict CH 3 O O N H 3 C N N H CH 3 N N H H 3 C IC50 = 21.0 nM 327.39 COc1ccc2c(NC(C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122466 single protein format
CHEMBL3601548 OBDepict CH 3 O O N CH 3 N CH 3 Cl IC50 = 22.0 nM 328.8 COc1ccc2c(C(C)c3cccc(Cl)c3)ncnc2c1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4649493 OBDepict Cl NH H 3 C H N N N O N IC50 = 23.0 nM 447.97 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613137 single protein format
CHEMBL4067682 OBDepict CH 3 O F N S O N N N N O IC50 = 26.0 nM 483.57 COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)c(F)c1 Homo sapiens CHEMBL4011522 single protein format
CHEMBL4102858 OBDepict CH 3 O N S O N N N N O IC50 = 27.0 nM 465.58 COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)cc1 Homo sapiens CHEMBL4011522 single protein format
CHEMBL4128897 OBDepict CH 3 O O CH 3 O N N H N CH 3 CH 3 N H N CH 3 IC50 = 27.0 nM 357.41 COc1cc2c(NC(C)Cc3cc(C)n[nH]3)ncnc2c(OC)c1OC Homo sapiens CHEMBL4122466 single protein format
CHEMBL4078578 OBDepict Cl F N S O N N N N O IC50 = 31.0 nM 487.99 O=c1n(Cc2ccc(Cl)cc2F)c2sc3c(c2c2ncnn12)CCN(CC1CCOCC1)C3 Homo sapiens CHEMBL4011522 single protein format
CHEMBL3601554 OBDepict H 3 C NH CH 3 N N O O CH 3 O H 3 C CH 3 IC50 = 35.0 nM 305.38 CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12 Homo sapiens CHEMBL4122466 single protein format
CHEMBL512790 OBDepict Cl N N H O N N H 3 C CH 3 H IC50 = 38.0 nM 302.76 CC(C)c1n[nH]c2c(=O)[nH]c(Cc3cccc(Cl)c3)nc12 Homo sapiens CHEMBL966925 single protein format
CHEMBL3601551 OBDepict CH 3 O O N CH 3 N F IC50 = 38.0 nM 324.36 COc1ccc2c(C3CCc4ccc(F)cc43)ncnc2c1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4090245 OBDepict Cl N S O N N N N O IC50 = 41.0 nM 470.0 O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(CC1CCOCC1)C3 Homo sapiens CHEMBL4011522 single protein format
CHEMBL431377 OBDepict CH 3 N N N O N N IC50 = 48.0 nM 501.63 CN1C(=O)c2c(nc(Cc3ccc(-c4ccccc4)cc3)n2Cc2ccccc2)N2CC3(CCCC3)N=C12 Homo sapiens CHEMBL4011522 single protein format
CHEMBL4127499 OBDepict CH 3 O O CH 3 N N H N CH 3 N H N H 3 C IC50 = 52.0 nM 327.39 COc1cc2ncnc(NC(C)Cc3cc(C)n[nH]3)c2cc1OC Homo sapiens CHEMBL4122466 single protein format
CHEMBL4074038 OBDepict Cl N S O N N N N O IC50 = 53.0 nM 439.93 O=C(C1CC1)N1CCc2c(sc3c2c2ncnn2c(=O)n3Cc2ccc(Cl)cc2)C1 Homo sapiens CHEMBL4011522 single protein format
CHEMBL3601558 OBDepict CH 3 O O N CH 3 N N H H 3 C H CH 3 IC50 = 70.0 nM 301.39 COc1ccc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2c1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4644938 OBDepict Cl N H H 3 C H N N H N O N IC50 = 80.0 nM 357.85 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613137 single protein format
CHEMBL3601547 OBDepict CH 3 O O H 3 C N N Cl IC50 = 83.0 nM 340.81 COc1cc2ncnc(C3CCc4ccc(Cl)cc43)c2cc1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4084358 OBDepict Cl N S O N N N N O IC50 = 150.0 nM 427.92 O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(C1COC1)C3 Homo sapiens CHEMBL4011522 single protein format
CHEMBL4069196 OBDepict O N N N S N N O IC50 = 150.0 nM 435.55 O=c1n(Cc2ccccc2)c2sc3c(c2c2ncnn12)CCN(CC1CCOCC1)C3 Homo sapiens CHEMBL4011522 single protein format
CHEMBL4102318 OBDepict Cl N S O N N N N IC50 = 190.0 nM 461.98 O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(Cc1ccccc1)C3 Homo sapiens CHEMBL4011522 single protein format
CHEMBL4086861 OBDepict Cl N S O N N N N IC50 = 210.0 nM 425.95 O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(CC1CC1)C3 Homo sapiens CHEMBL4011522 single protein format
CHEMBL3601546 OBDepict CH 3 O O H 3 C N N CH 3 Cl IC50 = 230.0 nM 328.8 COc1cc2ncnc(C(C)c3cccc(Cl)c3)c2cc1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL4168752 OBDepict CH 3 H 3 C H O O O OH OH O H 3 C H 3 C IC50 = 300.0 nM 418.45 CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 Homo sapiens CHEMBL4146462 assay format
CHEMBL4784075 OBDepict H 3 C N N N O HN O CH 3 IC50 = 360.0 nM 342.44 CCCCCn1c(-c2ccco2)nc2c(NCCCOC)ccnc21 Homo sapiens CHEMBL4733096 single protein format
CHEMBL3601564 OBDepict CH 3 O O CH 3 N H Cl IC50 = 458.0 nM 339.82 COc1ccc2c([C@@H]3CCc4ccc(Cl)cc43)nccc2c1OC Homo sapiens CHEMBL3602928 single protein format
CHEMBL1463540 OBDepict Cl N O N S N N IC50 = 460.0 nM 370.87 O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCCC3 Homo sapiens CHEMBL4011522 single protein format
CHEMBL3360415 OBDepict CH 3 O NH O NH H 3 C H N N H N O N IC50 = 473.0 nM 396.45 COc1ccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3383762 single protein format
CHEMBL3356680 OBDepict NH 2 N N N N O N N IC50 = 503.0 nM 421.46 Nc1ncc2cc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)ccc2n1 Homo sapiens CHEMBL3384202 single protein format
CHEMBL4129844 OBDepict CH 3 O O N CH 3 N N H H 3 C H N N H CH 3 IC50 = 596.0 nM 327.39 COc1ccc2c(N[C@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122466 single protein format
CHEMBL4068450 OBDepict CH 3 N S N N N N O Cl IC50 = 1000.0 nM 385.88 CN1CCc2c(sc3c2c2ncnn2c(=O)n3Cc2ccc(Cl)cc2)C1 Homo sapiens CHEMBL4011522 single protein format