Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50153657' 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 |
Nuclear receptor ROR-gamma
(Mus musculus) | BDBM50153657
(CHEMBL3775607)Show SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CCN(C)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1 |r,wU:18.20,4.3,6.8,wD:12.12,(-12.25,.44,;-11.01,.47,;-10.37,-.59,;-10.27,1.82,;-8.74,1.85,;-7.67,2.96,;-6.62,1.89,;-7.63,.79,;-5.09,2.05,;-4.31,3.38,;-2.81,3.06,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.4,-1.39,;1.33,.77,;,1.54,;-0,3.08,;1.06,3.7,;-1.34,3.85,;-1.34,5.39,;-.01,6.16,;-.01,7.7,;-1.34,8.47,;-1.34,9.7,;-2.68,7.7,;-2.68,6.16,;-3.74,5.54,;-4.06,.91,;-4.37,-.6,;-4,-2.01,;-5.47,-1.56,)| Show InChI InChI=1S/C28H41N5O/c1-17(2)12-20-14-21(15-20)26-30-31-27(33(26)22-7-8-22)23-10-11-32(5)16-24(23)28(34)29-25-9-6-18(3)13-19(25)4/h6,9,13,17,20-24H,7-8,10-12,14-16H2,1-5H3,(H,29,34)/t20-,21+,23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of mouse RORgamma ligand binding domain (Isoleucine 251 to Lysine 516) expressed in CHOK1 cells incubated for 2 days by Gal4 luciferase re... |
ACS Med Chem Lett 7: 23-7 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00253 BindingDB Entry DOI: 10.7270/Q2N58P7P |
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50153657
(CHEMBL3775607)Show SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CCN(C)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1 |r,wU:18.20,4.3,6.8,wD:12.12,(-12.25,.44,;-11.01,.47,;-10.37,-.59,;-10.27,1.82,;-8.74,1.85,;-7.67,2.96,;-6.62,1.89,;-7.63,.79,;-5.09,2.05,;-4.31,3.38,;-2.81,3.06,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.4,-1.39,;1.33,.77,;,1.54,;-0,3.08,;1.06,3.7,;-1.34,3.85,;-1.34,5.39,;-.01,6.16,;-.01,7.7,;-1.34,8.47,;-1.34,9.7,;-2.68,7.7,;-2.68,6.16,;-3.74,5.54,;-4.06,.91,;-4.37,-.6,;-4,-2.01,;-5.47,-1.56,)| Show InChI InChI=1S/C28H41N5O/c1-17(2)12-20-14-21(15-20)26-30-31-27(33(26)22-7-8-22)23-10-11-32(5)16-24(23)28(34)29-25-9-6-18(3)13-19(25)4/h6,9,13,17,20-24H,7-8,10-12,14-16H2,1-5H3,(H,29,34)/t20-,21+,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human RORgamma ligand binding domain (Serine 253 to Lysine 518 residues) expressed in CHOK1 cells incubated for 2 days by Gal4 lucifera... |
ACS Med Chem Lett 7: 23-7 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00253 BindingDB Entry DOI: 10.7270/Q2N58P7P |
More data for this Ligand-Target Pair | |