Found 5 hits for monomerid = 50197526 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50197526
(CHEMBL3982647)Show SMILES Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2| Show InChI InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as suppression of 1'-hydroxymidazolam formation after 10 mins by... |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197526
(CHEMBL3982647)Show SMILES Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2| Show InChI InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description Inhibition of activated TAFI in human blood by clot lysis assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197526
(CHEMBL3982647)Show SMILES Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2| Show InChI InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ERG expressed in CHO cells by patch clamp method |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50197526
(CHEMBL3982647)Show SMILES Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2| Show InChI InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as suppression of 1'-hydroxymidazolam formation after 10 mins by... |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197526
(CHEMBL3982647)Show SMILES Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2| Show InChI InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this Ligand-Target Pair | |