BDBM50239062 CHEMBL4088364

SMILES: COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1

InChI Key: InChIKey=MMOVBTIGKWSKNZ-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 = 50239062   

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))	BDBM50239062 (CHEMBL4088364) Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50239062 (CHEMBL4088364) Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair