Found 36 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320340
((R)-(3-methyl-4-(4-p-tolylphthalazin-1-yl)piperazi...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(C)cc2)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O/c1-19-12-14-21(15-13-19)25-23-10-6-7-11-24(23)26(29-28-25)31-17-16-30(18-20(31)2)27(32)22-8-4-3-5-9-22/h3-15,20H,16-18H2,1-2H3/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320341
((R)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-3-methy...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H23ClN4O/c1-18-17-30(26(32)20-7-3-2-4-8-20)15-16-31(18)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320358
((R)-(3-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H24N4O/c1-19-18-29(26(31)21-12-6-3-7-13-21)16-17-30(19)25-23-15-9-8-14-22(23)24(27-28-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320339
((R)-(4-(4-(4-cyclopropylphenyl)phthalazin-1-yl)-3-...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C2CC2)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H28N4O/c1-20-19-32(29(34)24-7-3-2-4-8-24)17-18-33(20)28-26-10-6-5-9-25(26)27(30-31-28)23-15-13-22(14-16-23)21-11-12-21/h2-10,13-16,20-21H,11-12,17-19H2,1H3/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320336
((R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O2/c1-19-17-30(27(33)22-7-3-2-4-8-22)15-16-31(19)26-24-10-6-5-9-23(24)25(28-29-26)21-13-11-20(18-32)12-14-21/h2-14,19,32H,15-18H2,1H3/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320369
((R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H23F3N4O/c1-18-17-33(26(35)20-7-3-2-4-8-20)15-16-34(18)25-23-10-6-5-9-22(23)24(31-32-25)19-11-13-21(14-12-19)27(28,29)30/h2-14,18H,15-17H2,1H3/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320335
((R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthala...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C#N)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H23N5O/c1-19-18-31(27(33)22-7-3-2-4-8-22)15-16-32(19)26-24-10-6-5-9-23(24)25(29-30-26)21-13-11-20(17-28)12-14-21/h2-14,19H,15-16,18H2,1H3/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320345
((S)-(2-methyl-4-(4-p-tolylphthalazin-1-yl)piperazi...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(C)cc2)c2ccccc12 |r| Show InChI InChI=1S/C27H26N4O/c1-19-12-14-21(15-13-19)25-23-10-6-7-11-24(23)26(29-28-25)30-16-17-31(20(2)18-30)27(32)22-8-4-3-5-9-22/h3-15,20H,16-18H2,1-2H3/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320342
((S)-(2-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C27H23F3N4O/c1-18-17-33(15-16-34(18)26(35)20-7-3-2-4-8-20)25-23-10-6-5-9-22(23)24(31-32-25)19-11-13-21(14-12-19)27(28,29)30/h2-14,18H,15-17H2,1H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320355
(CHEMBL1085503 | phenyl(4-(4-p-tolylphthalazin-1-yl...)Show SMILES Cc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N4O/c1-19-11-13-20(14-12-19)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320356
((4-(4-(4-chlorophenyl)phthalazin-1-yl)piperazin-1-...)Show SMILES Clc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H21ClN4O/c26-20-12-10-18(11-13-20)23-21-8-4-5-9-22(21)24(28-27-23)29-14-16-30(17-15-29)25(31)19-6-2-1-3-7-19/h1-13H,14-17H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320334
((R)-(4-(4-(4-(dimethylamino)phenyl)phthalazin-1-yl...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)N(C)C)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H29N5O/c1-20-19-32(28(34)22-9-5-4-6-10-22)17-18-33(20)27-25-12-8-7-11-24(25)26(29-30-27)21-13-15-23(16-14-21)31(2)3/h4-16,20H,17-19H2,1-3H3/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320361
((S)-(2-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C26H24N4O/c1-19-18-29(16-17-30(19)26(31)21-12-6-3-7-13-21)25-23-15-9-8-14-22(23)24(27-28-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320344
((S)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(Cl)cc2)c2ccccc12 |r| Show InChI InChI=1S/C26H23ClN4O/c1-18-17-30(15-16-31(18)26(32)20-7-3-2-4-8-20)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320338
((R)-(4-(4-(4-isopropylphenyl)phthalazin-1-yl)-3-me...)Show SMILES CC(C)c1ccc(cc1)-c1nnc(N2CCN(C[C@H]2C)C(=O)c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C29H30N4O/c1-20(2)22-13-15-23(16-14-22)27-25-11-7-8-12-26(25)28(31-30-27)33-18-17-32(19-21(33)3)29(34)24-9-5-4-6-10-24/h4-16,20-21H,17-19H2,1-3H3/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320364
((4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(thiazo...)Show SMILES O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1nccs1 Show InChI InChI=1S/C22H19N5OS/c28-22(21-23-10-15-29-21)27-13-11-26(12-14-27)20-18-9-5-4-8-17(18)19(24-25-20)16-6-2-1-3-7-16/h1-10,15H,11-14H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320337
((R)-(4-(4-(4-tert-butylphenyl)phthalazin-1-yl)-3-m...)Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(C)(C)C)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H32N4O/c1-21-20-33(29(35)23-10-6-5-7-11-23)18-19-34(21)28-26-13-9-8-12-25(26)27(31-32-28)22-14-16-24(17-15-22)30(2,3)4/h5-17,21H,18-20H2,1-4H3/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320359
((S)-(3-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)Show SMILES C[C@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H24N4O/c1-19-18-29(26(31)21-12-6-3-7-13-21)16-17-30(19)25-23-15-9-8-14-22(23)24(27-28-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320353
((4-(4-(4-fluorophenyl)phthalazin-1-yl)piperazin-1-...)Show SMILES Fc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H21FN4O/c26-20-12-10-18(11-13-20)23-21-8-4-5-9-22(21)24(28-27-23)29-14-16-30(17-15-29)25(31)19-6-2-1-3-7-19/h1-13H,14-17H2 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320343
((S)-(4-(4-(4-fluorophenyl)phthalazin-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C26H23FN4O/c1-18-17-30(15-16-31(18)26(32)20-7-3-2-4-8-20)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320365
(CHEMBL1083103 | furan-2-yl(4-(4-phenylphthalazin-1...)Show SMILES O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1ccco1 Show InChI InChI=1S/C23H20N4O2/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2 | PDB
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AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320360
((R)-(2-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C26H24N4O/c1-19-18-29(16-17-30(19)26(31)21-12-6-3-7-13-21)25-23-15-9-8-14-22(23)24(27-28-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3/t19-/m1/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320350
(CHEMBL1082387 | phenyl(4-(4-o-tolylphthalazin-1-yl...)Show SMILES Cc1ccccc1-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N4O/c1-19-9-5-6-12-21(19)24-22-13-7-8-14-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)20-10-3-2-4-11-20/h2-14H,15-18H2,1H3 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320354
((4-(4-(4-methoxyphenyl)phthalazin-1-yl)piperazin-1...)Show SMILES COc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N4O2/c1-32-21-13-11-19(12-14-21)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320357
((4-(4-(3,4-dichlorophenyl)phthalazin-1-yl)piperazi...)Show SMILES Clc1ccc(cc1Cl)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H20Cl2N4O/c26-21-11-10-18(16-22(21)27)23-19-8-4-5-9-20(19)24(29-28-23)30-12-14-31(15-13-30)25(32)17-6-2-1-3-7-17/h1-11,16H,12-15H2 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320362
(CHEMBL1082791 | phenyl(4-(4-phenylphthalazin-1-yl)...)Show SMILES O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C25H22N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1-14H,15-18H2 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320352
((4-(4-(3-methoxyphenyl)phthalazin-1-yl)piperazin-1...)Show SMILES COc1cccc(c1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)24-22-12-5-6-13-23(22)25(28-27-24)29-14-16-30(17-15-29)26(31)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320349
((4-(4-(2-chlorophenyl)phthalazin-1-yl)piperazin-1-...)Show SMILES Clc1ccccc1-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H21ClN4O/c26-22-13-7-6-12-21(22)23-19-10-4-5-11-20(19)24(28-27-23)29-14-16-30(17-15-29)25(31)18-8-2-1-3-9-18/h1-13H,14-17H2 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Mus musculus) | BDBM50320366
((4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(thioph...)Show SMILES O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1cccs1 Show InChI InChI=1S/C23H20N4OS/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of mouse SMO expressed in NIH-3T3 cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320363
(1-(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)ethan...)Show InChI InChI=1S/C20H20N4O/c1-15(25)23-11-13-24(14-12-23)20-18-10-6-5-9-17(18)19(21-22-20)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3 | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320346
((S)-(2-methyl-4-(4-(pyridin-4-yl)phthalazin-1-yl)p...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccncc2)c2ccccc12 |r| Show InChI InChI=1S/C25H23N5O/c1-18-17-29(15-16-30(18)25(31)20-7-3-2-4-8-20)24-22-10-6-5-9-21(22)23(27-28-24)19-11-13-26-14-12-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1 | PDB
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| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320348
((S)-(2-methyl-4-(4-(pyridin-2-yl)phthalazin-1-yl)p...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccn2)c2ccccc12 |r| Show InChI InChI=1S/C25H23N5O/c1-18-17-29(15-16-30(18)25(31)19-9-3-2-4-10-19)24-21-12-6-5-11-20(21)23(27-28-24)22-13-7-8-14-26-22/h2-14,18H,15-17H2,1H3/t18-/m0/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320351
(3-(4-(4-benzoylpiperazin-1-yl)phthalazin-1-yl)benz...)Show SMILES O=C(N1CCN(CC1)c1nnc(-c2cccc(c2)C#N)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H21N5O/c27-18-19-7-6-10-21(17-19)24-22-11-4-5-12-23(22)25(29-28-24)30-13-15-31(16-14-30)26(32)20-8-2-1-3-9-20/h1-12,17H,13-16H2 | PDB
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| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320347
((S)-(2-methyl-4-(4-(pyridin-3-yl)phthalazin-1-yl)p...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2cccnc2)c2ccccc12 |r| Show InChI InChI=1S/C25H23N5O/c1-18-17-29(14-15-30(18)25(31)19-8-3-2-4-9-19)24-22-12-6-5-11-21(22)23(27-28-24)20-10-7-13-26-16-20/h2-13,16,18H,14-15,17H2,1H3/t18-/m0/s1 | PDB
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| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320368
((S)-(2-methyl-4-(4-(pyridazin-1(6H)-yl)phthalazin-...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(N2CC=CC=N2)c2ccccc12 |r,c:23,25| Show InChI InChI=1S/C24H24N6O/c1-18-17-28(15-16-29(18)24(31)19-9-3-2-4-10-19)22-20-11-5-6-12-21(20)23(27-26-22)30-14-8-7-13-25-30/h2-13,18H,14-17H2,1H3/t18-/m0/s1 | PDB
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| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50320367
((S)-(2-methyl-4-(4-(oxazol-2-yl)phthalazin-1-yl)pi...)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ncco2)c2ccccc12 |r| Show InChI InChI=1S/C23H21N5O2/c1-16-15-27(12-13-28(16)23(29)17-7-3-2-4-8-17)21-19-10-6-5-9-18(19)20(25-26-21)22-24-11-14-30-22/h2-11,14,16H,12-13,15H2,1H3/t16-/m0/s1 | PDB
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN
Curated by ChEMBL
| Assay Description
Inhibition of human SMO expressed in HEPM cells |
Bioorg Med Chem Lett 20: 3618-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ |
More data for this
Ligand-Target Pair | |
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