Found 9 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 |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403048
(CHEMBL2216805)Show InChI InChI=1S/C16H20N2OS/c1-12-5-7-13(8-6-12)16-18(15(19)11-20-16)14-4-3-9-17(2)10-14/h4-8,16H,3,9-11H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Displacement of [3H]QNB from M1 receptor in Wistar rat cerebral cortex homogenate |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50403053
(CHEMBL2216810)Show SMILES C[C@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12 |r| Show InChI InChI=1S/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)25)37-30(40)20-29-32(42)39(33(43-29)27-14-13-24(34)19-28(27)35)21-31(41)36-15-8-18-38-16-5-2-6-17-38/h3-4,7,9-14,19,22,29,33H,2,5-6,8,15-18,20-21H2,1H3,(H,36,41)(H,37,40)/t22-,29+,33+/m0/s1 | UniProtKB/SwissProt
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 |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Antagonist activity at CCR4 |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50142347
(2-[(2R,5R)-5-[(3-Chloro-2-methyl-benzylcarbamoyl)-...)Show SMILES Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C29H35Cl3N4O3S/c1-19-20(7-5-8-23(19)31)17-34-26(37)16-25-28(39)36(29(40-25)22-10-9-21(30)15-24(22)32)18-27(38)33-11-6-14-35-12-3-2-4-13-35/h5,7-10,15,25,29H,2-4,6,11-14,16-18H2,1H3,(H,33,38)(H,34,37)/t25-,29-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Antagonist activity at CCR4 |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50403049
(CHEMBL2216806)Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(OCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C25H19NO4S2/c27-23(28)15-26-24(29)22(32-25(26)31)14-17-6-8-19(9-7-17)20-10-12-21(13-11-20)30-16-18-4-2-1-3-5-18/h1-14H,15-16H2,(H,27,28)/b22-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PTP1B using pNPP as substrate by spectrophotometric analysis |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
TYR_PHOSPHATASE_2 domain-containing protein
(Mycobacterium tuberculosis) | BDBM50403052
(CHEMBL2216811)Show SMILES [O-][N+](=O)c1ccc2N(Cc3ccc(Br)cc3)C(=O)C3(N(C(=O)CS3(=O)=O)c3ccc(F)c(F)c3)c2c1 Show InChI InChI=1S/C23H14BrF2N3O6S/c24-14-3-1-13(2-4-14)11-27-20-8-6-16(29(32)33)9-17(20)23(22(27)31)28(21(30)12-36(23,34)35)15-5-7-18(25)19(26)10-15/h1-10H,11-12H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis protein tyrosine phosphatase B |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403048
(CHEMBL2216805)Show InChI InChI=1S/C16H20N2OS/c1-12-5-7-13(8-6-12)16-18(15(19)11-20-16)14-4-3-9-17(2)10-14/h4-8,16H,3,9-11H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Displacement of [3H]QNB from M1 receptor in Wistar rat cerebral cortex homogenate |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
Follicle-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50403051
(CHEMBL2216804)Show SMILES CCOc1cc(CCNC(=O)C[C@H]2S[C@H](NC2=O)c2ccc(cc2)C#Cc2ccccc2)ccc1OC |r| Show InChI InChI=1S/C30H30N2O4S/c1-3-36-26-19-23(13-16-25(26)35-2)17-18-31-28(33)20-27-29(34)32-30(37-27)24-14-11-22(12-15-24)10-9-21-7-5-4-6-8-21/h4-8,11-16,19,27,30H,3,17-18,20H2,1-2H3,(H,31,33)(H,32,34)/t27-,30+/m1/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 | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Agonist activity at human FSH receptor by aromatase-based assay |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
Follicle-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50403050
(CHEMBL2216803)Show SMILES COc1ccc(CCNC(=O)C[C@H]2S[C@H](N(C2=O)c2ccc(C(N)=O)c(Cl)c2)c2ccc(cc2)C#Cc2ccccc2)cc1OC |r| Show InChI InChI=1S/C36H32ClN3O5S/c1-44-30-17-12-25(20-31(30)45-2)18-19-39-33(41)22-32-35(43)40(27-15-16-28(34(38)42)29(37)21-27)36(46-32)26-13-10-24(11-14-26)9-8-23-6-4-3-5-7-23/h3-7,10-17,20-21,32,36H,18-19,22H2,1-2H3,(H2,38,42)(H,39,41)/t32-,36+/m1/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 | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Allosteric activation of human FSH receptor |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |
Follicle-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50403051
(CHEMBL2216804)Show SMILES CCOc1cc(CCNC(=O)C[C@H]2S[C@H](NC2=O)c2ccc(cc2)C#Cc2ccccc2)ccc1OC |r| Show InChI InChI=1S/C30H30N2O4S/c1-3-36-26-19-23(13-16-25(26)35-2)17-18-31-28(33)20-27-29(34)32-30(37-27)24-14-11-22(12-15-24)10-9-21-7-5-4-6-8-21/h4-8,11-16,19,27,30H,3,17-18,20H2,1-2H3,(H,31,33)(H,32,34)/t27-,30+/m1/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 | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Dr. Hari Singh Gour University
Curated by ChEMBL
| Assay Description Agonist activity at human FSH receptor by cAMP-based assay |
Bioorg Med Chem 20: 3378-95 (2012)
Article DOI: 10.1016/j.bmc.2012.03.069 BindingDB Entry DOI: 10.7270/Q2222VX4 |
More data for this Ligand-Target Pair | |