Found 3 hits for monomerid = 50436258 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 |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50436258
(CHEMBL2398722)Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)18-6-5-7-19(18)28)22(30)27-13-12-24(31,23(3,4)14-27)16-8-10-17(25)11-9-16/h8-11,15,18-20,28,31H,5-7,12-14H2,1-4H3,(H,26,29)/t18-,19+,20-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Induction of PXR (unknown origin) |
Bioorg Med Chem Lett 23: 3833-40 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50436258
(CHEMBL2398722)Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)18-6-5-7-19(18)28)22(30)27-13-12-24(31,23(3,4)14-27)16-8-10-17(25)11-9-16/h8-11,15,18-20,28,31H,5-7,12-14H2,1-4H3,(H,26,29)/t18-,19+,20-,24+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to human CCR1 |
Bioorg Med Chem Lett 23: 3833-40 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50436258
(CHEMBL2398722)Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)18-6-5-7-19(18)28)22(30)27-13-12-24(31,23(3,4)14-27)16-8-10-17(25)11-9-16/h8-11,15,18-20,28,31H,5-7,12-14H2,1-4H3,(H,26,29)/t18-,19+,20-,24+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis |
Bioorg Med Chem Lett 23: 3833-40 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G |
More data for this Ligand-Target Pair | |