BDBM339331 US10201546, Example 192c

SMILES: COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N

InChI Key: InChIKey=AWLDWNSGSDDBMP-NDEPHWFRSA-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 = 339331   

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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM339331 (US10201546, Example 192c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H27ClF3N5O2/c1-37-17-35-15-25(37)28(39,19-5-3-18(14-34)4-6-19)21-7-8-24-22(13-21)26(30)23(27(36-24)40-2)16-38-11-9-20(10-12-38)29(31,32)33/h3-8,13,15,17,20,39H,9-12,16H2,1-2H3/t28-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM339331 (US10201546, Example 192c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H27ClF3N5O2/c1-37-17-35-15-25(37)28(39,19-5-3-18(14-34)4-6-19)21-7-8-24-22(13-21)26(30)23(27(36-24)40-2)16-38-11-9-20(10-12-38)29(31,32)33/h3-8,13,15,17,20,39H,9-12,16H2,1-2H3/t28-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair