Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50153597' 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) | BDBM50153597
(CHEMBL3775807)Show SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:17.19,14.15,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;6.15,-6.82,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)| Show InChI InChI=1S/C27H38N4O2/c1-15(2)9-18-11-19(12-18)25-29-30-26(31(25)20-6-7-20)22-13-21(32)14-23(22)27(33)28-24-8-5-16(3)10-17(24)4/h5,8,10,15,18-23,32H,6-7,9,11-14H2,1-4H3,(H,28,33)/t18-,19+,21-,22-,23-/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 | 38 | 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)) | BDBM50153597
(CHEMBL3775807)Show SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:17.19,14.15,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;6.15,-6.82,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)| Show InChI InChI=1S/C27H38N4O2/c1-15(2)9-18-11-19(12-18)25-29-30-26(31(25)20-6-7-20)22-13-21(32)14-23(22)27(33)28-24-8-5-16(3)10-17(24)4/h5,8,10,15,18-23,32H,6-7,9,11-14H2,1-4H3,(H,28,33)/t18-,19+,21-,22-,23-/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 | 98 | 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 | |