BDBM50239063 CHEMBL4094197

SMILES: Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1

InChI Key: InChIKey=GPOLLFXETCEARD-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50239063   

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))	BDBM50239063 (CHEMBL4094197) Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50239063 (CHEMBL4094197) Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from human N-terminal His-tagged RORgammat LBD (850 to 1635 residues) expressed in Escherichia coli by thermofluor assay				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50239063 (CHEMBL4094197) Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50239063 (CHEMBL4094197) Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats				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