Found 103 hits with Last Name = 'samala' and Initial = 'l' 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 |
|---|
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044006
(CHEMBL3356431)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3c[nH]cn3)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C26H30N8O3/c1-17-13-28-22-21(17)23(31-16-30-22)34-9-7-26(8-10-34,12-19-14-27-15-29-19)24(35)32-18-5-4-6-20(11-18)37-25(36)33(2)3/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,27,29)(H,32,35)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044086
(CHEMBL3356064)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccccc1)c1ncnc2[nH]cc(C)c12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044012
(CHEMBL3356424)Show SMILES Cc1c[nH]c2ncnc(N3CCC(CC=C)(CC3)C(=O)Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C22H24ClN5O/c1-3-7-22(21(29)27-17-6-4-5-16(23)12-17)8-10-28(11-9-22)20-18-15(2)13-24-19(18)25-14-26-20/h3-6,12-14H,1,7-11H2,2H3,(H,27,29)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044010
(CHEMBL3356426)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CC=C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C25H30N6O3/c1-5-9-25(23(32)29-18-7-6-8-19(14-18)34-24(33)30(3)4)10-12-31(13-11-25)22-20-17(2)15-26-21(20)27-16-28-22/h5-8,14-16H,1,9-13H2,2-4H3,(H,29,32)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044087
(CHEMBL3356063)Show SMILES COc1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044003
(CHEMBL3356430)Show SMILES COCCOCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C26H34N6O5/c1-18-15-27-22-21(18)23(29-17-28-22)32-10-8-26(9-11-32,16-36-13-12-35-4)24(33)30-19-6-5-7-20(14-19)37-25(34)31(2)3/h5-7,14-15,17H,8-13,16H2,1-4H3,(H,30,33)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044011
(CHEMBL3356425)Show SMILES Cc1c[nH]c2ncnc(N3CCC(C)(CC3)C(=O)Nc3cccc(c3)C(C)(C)C)c12 Show InChI InChI=1S/C24H31N5O/c1-16-14-25-20-19(16)21(27-15-26-20)29-11-9-24(5,10-12-29)22(30)28-18-8-6-7-17(13-18)23(2,3)4/h6-8,13-15H,9-12H2,1-5H3,(H,28,30)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044009
(CHEMBL3356427)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(2,9-11-29)21(30)27-16-6-5-7-17(12-16)32-22(31)28(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,27,30)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044007
(CHEMBL3356429)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1 Show InChI InChI=1S/C24H31N7O3/c1-16-14-25-20-19(16)21(27-15-26-20)31-11-9-24(10-12-31,30(4)5)22(32)28-17-7-6-8-18(13-17)34-23(33)29(2)3/h6-8,13-15H,9-12H2,1-5H3,(H,28,32)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50299618
((S)-N-(3-(isopropylcarbamoyl)phenyl)-2-methyl-4-(5...)Show SMILES CC(C)NC(=O)c1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1 |r| Show InChI InChI=1S/C23H29N7O2/c1-14(2)27-22(31)17-6-5-7-18(10-17)28-23(32)30-9-8-29(12-16(30)4)21-19-15(3)11-24-20(19)25-13-26-21/h5-7,10-11,13-14,16H,8-9,12H2,1-4H3,(H,27,31)(H,28,32)(H,24,25,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300929
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-2-ylmethylam...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccccc2-c2ccccc2)n1)C(O)=O |r| Show InChI InChI=1S/C25H24N6O2/c26-21(23(32)33)14-16-10-12-18(13-11-16)22-29-24(27)31-25(30-22)28-15-19-8-4-5-9-20(19)17-6-2-1-3-7-17/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044005
(CHEMBL3356432)Show SMILES CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C26H35N7O3/c1-18-16-27-22-21(18)23(29-17-28-22)33-13-10-26(11-14-33,9-12-31(2)3)24(34)30-19-7-6-8-20(15-19)36-25(35)32(4)5/h6-8,15-17H,9-14H2,1-5H3,(H,30,34)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044083
(CHEMBL3352853)Show SMILES C[C@H](NC(=O)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243565
((S)-2-amino-3-(4-(5-(naphthalen-2-ylmethylamino)py...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc3ccccc3c2)cn1)C(O)=O |r| Show InChI InChI=1S/C24H22N4O2/c25-21(24(29)30)12-16-5-9-19(10-6-16)22-14-28-23(15-26-22)27-13-17-7-8-18-3-1-2-4-20(18)11-17/h1-11,14-15,21H,12-13,25H2,(H,27,28)(H,29,30)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300932
((S)-2-amino-3-(4-(4-amino-6-((4'-methylbiphenyl-4-...)Show SMILES Cc1ccc(cc1)-c1ccc(CNc2nc(N)nc(n2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C26H26N6O2/c1-16-2-8-19(9-3-16)20-10-6-18(7-11-20)15-29-26-31-23(30-25(28)32-26)21-12-4-17(5-13-21)14-22(27)24(33)34/h2-13,22H,14-15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300935
((S)-3-{4-[4-(1-Adamantan-1-yl-ethylamino)-6-amino-...)Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28| Show InChI InChI=1S/C24H32N6O2/c1-13(24-10-15-6-16(11-24)8-17(7-15)12-24)27-23-29-20(28-22(26)30-23)18-4-2-14(3-5-18)9-19(25)21(31)32/h2-5,13,15-17,19H,6-12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t13?,15?,16?,17?,19-,24?/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243618
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(2...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)22(17-5-2-1-4-16(17)20-6-3-11-35-20)36-21-13-19(31-24(30)32-21)15-9-7-14(8-10-15)12-18(29)23(33)34/h1-11,13,18,22H,12,29H2,(H,33,34)(H2,30,31,32)/t18-,22?/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243613
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300934
((2S)-2-amino-3-(4-(4-amino-6-(1-(biphenyl-4-yl)eth...)Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H26N6O2/c1-16(18-11-13-20(14-12-18)19-5-3-2-4-6-19)29-26-31-23(30-25(28)32-26)21-9-7-17(8-10-21)15-22(27)24(33)34/h2-14,16,22H,15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t16?,22-/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243613
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243020
((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...)Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243020
((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...)Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1 | PDB
MMDB
Reactome pathway
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Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044017
(CHEMBL3356419)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)N2CCN(CC2C(C)(C)C)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C25H33N7O3/c1-16-13-26-21-20(16)22(28-15-27-21)31-10-11-32(19(14-31)25(2,3)4)23(33)29-17-8-7-9-18(12-17)35-24(34)30(5)6/h7-9,12-13,15,19H,10-11,14H2,1-6H3,(H,29,33)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243619
((S) -2-amino-3-[4-(2-amino-6-[2,2,2-trifluoro-1-(2...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-n2ccc(n2)C(F)(F)F)C(F)(F)F)nc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H20F6N6O3/c26-24(27,28)19-9-10-37(36-19)18-4-2-1-3-15(18)21(25(29,30)31)40-20-12-17(34-23(33)35-20)14-7-5-13(6-8-14)11-16(32)22(38)39/h1-10,12,16,21H,11,32H2,(H,38,39)(H2,33,34,35)/t16-,21?/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50242929
((S)-2-amino-3-(4-(5-((9-ethyl-9H-carbazol-3-yl)met...)Show SMILES CCn1c2ccccc2c2cc(CNc3cnc(cn3)-c3ccc(C[C@H](N)C(O)=O)cc3)ccc12 |r| Show InChI InChI=1S/C28H27N5O2/c1-2-33-25-6-4-3-5-21(25)22-13-19(9-12-26(22)33)15-31-27-17-30-24(16-32-27)20-10-7-18(8-11-20)14-23(29)28(34)35/h3-13,16-17,23H,2,14-15,29H2,1H3,(H,31,32)(H,34,35)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243022
((S)-2-amino-3-(4-(2-amino-6-((R)-1-(naphthalen-2-y...)Show SMILES C[C@@H](Nc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H25N5O2/c1-15(19-11-10-17-4-2-3-5-20(17)13-19)28-23-14-22(29-25(27)30-23)18-8-6-16(7-9-18)12-21(26)24(31)32/h2-11,13-15,21H,12,26H2,1H3,(H,31,32)(H3,27,28,29,30)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human LIMK1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Rock2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300930
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-3-ylmethylam...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2cccc(c2)-c2ccccc2)n1)C(O)=O |r| Show InChI InChI=1S/C25H24N6O2/c26-21(23(32)33)14-16-9-11-19(12-10-16)22-29-24(27)31-25(30-22)28-15-17-5-4-8-20(13-17)18-6-2-1-3-7-18/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243019
((S)-2-amino-3-(4-(5-((2'-methylbiphenyl-2-yl)methy...)Show SMILES Cc1ccccc1-c1ccccc1CNc1cnc(cn1)-c1ccc(C[C@H](N)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H26N4O2/c1-18-6-2-4-8-22(18)23-9-5-3-7-21(23)15-30-26-17-29-25(16-31-26)20-12-10-19(11-13-20)14-24(28)27(32)33/h2-13,16-17,24H,14-15,28H2,1H3,(H,30,31)(H,32,33)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300936
((S)-2-amino-3-(4-(4-amino-6-((S)-1-(naphthalen-2-y...)Show SMILES C[C@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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Similars
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PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243018
((S)-2-Amino-3-(4-{5-[(biphenyl-4-ylmethyl)-amino]-...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc(cc2)-c2ccccc2)cn1)C(O)=O |r| Show InChI InChI=1S/C26H24N4O2/c27-23(26(31)32)14-18-6-12-22(13-7-18)24-16-30-25(17-28-24)29-15-19-8-10-21(11-9-19)20-4-2-1-3-5-20/h1-13,16-17,23H,14-15,27H2,(H,29,30)(H,31,32)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50242928
((S)-2-amino-3-{4-[5-(3-cyclopentyloxy-4-methoxy-be...)Show SMILES COc1ccc(CNc2cnc(cn2)-c2ccc(C[C@H](N)C(O)=O)cc2)c(OC2CCCC2)c1 |r| Show InChI InChI=1S/C26H30N4O4/c1-33-21-11-10-19(24(13-21)34-20-4-2-3-5-20)14-29-25-16-28-23(15-30-25)18-8-6-17(7-9-18)12-22(27)26(31)32/h6-11,13,15-16,20,22H,2-5,12,14,27H2,1H3,(H,29,30)(H,31,32)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243564
((2S)-2-amino-3-(4-(5-((1,2,3,4-tetrahydronaphthale...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCC2CCc3ccccc3C2)cn1)C(O)=O |r| Show InChI InChI=1S/C24H26N4O2/c25-21(24(29)30)12-16-5-9-19(10-6-16)22-14-28-23(15-26-22)27-13-17-7-8-18-3-1-2-4-20(18)11-17/h1-6,9-10,14-15,17,21H,7-8,11-13,25H2,(H,27,28)(H,29,30)/t17?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300940
((S)-2-amino-3-(4-(4-amino-6-(methyl((R)-1-(naphtha...)Show SMILES C[C@@H](N(C)c1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H26N6O2/c1-15(19-12-11-17-5-3-4-6-20(17)14-19)31(2)25-29-22(28-24(27)30-25)18-9-7-16(8-10-18)13-21(26)23(32)33/h3-12,14-15,21H,13,26H2,1-2H3,(H,32,33)(H2,27,28,29,30)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human LIMK1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243655
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2sccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r| Show InChI InChI=1S/C23H19F3N4O4S/c24-23(25,26)20(19-14(7-9-35-19)17-2-1-8-33-17)34-18-11-16(29-22(28)30-18)13-5-3-12(4-6-13)10-15(27)21(31)32/h1-9,11,15,20H,10,27H2,(H,31,32)(H2,28,29,30)/t15-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300937
((S)-2-amino-3-(4-(4-amino-6-(2-(naphthalen-2-yl)pr...)Show SMILES CC(C)(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H26N6O2/c1-25(2,19-12-11-16-5-3-4-6-18(16)14-19)31-24-29-21(28-23(27)30-24)17-9-7-15(8-10-17)13-20(26)22(32)33/h3-12,14,20H,13,26H2,1-2H3,(H,32,33)(H3,27,28,29,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300928
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-4-ylmethylam...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O |r| Show InChI InChI=1S/C25H24N6O2/c26-21(23(32)33)14-16-6-12-20(13-7-16)22-29-24(27)31-25(30-22)28-15-17-8-10-19(11-9-17)18-4-2-1-3-5-18/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50242930
((S)-2-amino-3-(4-(5-(3,4-dimethoxybenzylamino)pyra...)Show SMILES COc1ccc(CNc2cnc(cn2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O4/c1-29-19-8-5-15(10-20(19)30-2)11-25-21-13-24-18(12-26-21)16-6-3-14(4-7-16)9-17(23)22(27)28/h3-8,10,12-13,17H,9,11,23H2,1-2H3,(H,25,26)(H,27,28)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243617
((S)-2-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'...)Show SMILES Cc1cccc(c1)-c1ccccc1C(Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H25F3N4O3/c1-16-5-4-6-19(13-16)20-7-2-3-8-21(20)25(28(29,30)31)38-24-15-23(34-27(33)35-24)18-11-9-17(10-12-18)14-22(32)26(36)37/h2-13,15,22,25H,14,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300925
((S)-2-amino-3-(4-(4-amino-6-(3,4-dimethylbenzylami...)Show SMILES Cc1ccc(CNc2nc(N)nc(n2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1C |r| Show InChI InChI=1S/C21H24N6O2/c1-12-3-4-15(9-13(12)2)11-24-21-26-18(25-20(23)27-21)16-7-5-14(6-8-16)10-17(22)19(28)29/h3-9,17H,10-11,22H2,1-2H3,(H,28,29)(H3,23,24,25,26,27)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044013
(CHEMBL3356423)Show SMILES C[C@@H]1CN(CC[C@@H]1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C23H28N6O3/c1-14-11-24-20-19(14)21(26-13-25-20)29-9-8-18(15(2)12-29)22(30)27-16-6-5-7-17(10-16)32-23(31)28(3)4/h5-7,10-11,13,15,18H,8-9,12H2,1-4H3,(H,27,30)(H,24,25,26)/t15-,18+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Lexicon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi... |
ACS Med Chem Lett 6: 84-8 (2015)
Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50243507
((S)-2-amino-3-(4-(5-(4-cyanobenzylamino)pyrazin-2-...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc(cc2)C#N)cn1)C(O)=O |r| Show InChI InChI=1S/C21H19N5O2/c22-10-15-1-3-16(4-2-15)11-25-20-13-24-19(12-26-20)17-7-5-14(6-8-17)9-18(23)21(27)28/h1-8,12-13,18H,9,11,23H2,(H,25,26)(H,27,28)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300924
((S)-2-amino-3-(4-(4-amino-6-(cyclohexylmethylamino...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCC2CCCCC2)n1)C(O)=O |r| Show InChI InChI=1S/C19H26N6O2/c20-15(17(26)27)10-12-6-8-14(9-7-12)16-23-18(21)25-19(24-16)22-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,20H2,(H,26,27)(H3,21,22,23,24,25)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM50300942
((2S)-2-amino-3-(4-(4-amino-6-(3-methyl-1-(naphthal...)Show SMILES CC(C)CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H30N6O2/c1-16(2)13-23(21-12-11-18-5-3-4-6-20(18)15-21)30-27-32-24(31-26(29)33-27)19-9-7-17(8-10-19)14-22(28)25(34)35/h3-12,15-16,22-23H,13-14,28H2,1-2H3,(H,34,35)(H3,29,30,31,32,33)/t22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this
Ligand-Target Pair | |
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