BDBM221246 US9303015, 20

SMILES: Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1

InChI Key: InChIKey=ZIWGQMCFFKYIPD-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 221246   

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
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221246 (US9303015, 20) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1 Show InChI InChI=1S/C28H18ClN5O2/c1-34-17-32-16-26(34)28(35,18-7-10-20(29)11-8-18)19-9-12-24-22(13-19)23(14-30)27(25(15-31)33-24)36-21-5-3-2-4-6-21/h2-13,16-17,35H,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221246 (US9303015, 20) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1 Show InChI InChI=1S/C28H18ClN5O2/c1-34-17-32-16-26(34)28(35,18-7-10-20(29)11-8-18)19-9-12-24-22(13-19)23(14-30)27(25(15-31)33-24)36-21-5-3-2-4-6-21/h2-13,16-17,35H,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.70	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair