BDBM50203502 CHEMBL3940207

SMILES: CN1CCN(CC1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=GFHGOBSAWUNQHX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50203502   

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))	BDBM50203502 (CHEMBL3940207) Show SMILES CN1CCN(CC1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H22Cl2N4O3S/c1-30-11-13-31(14-12-30)25(33)17-7-10-22-19(15-17)24(36-23-20(27)3-2-4-21(23)28)29-32(22)18-8-5-16(6-9-18)26(34)35/h2-10,15H,11-14H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galderma R&D Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 26: 5802-5808 (2016) Article DOI: 10.1016/j.bmcl.2016.10.023 BindingDB Entry DOI: 10.7270/Q2D79DDH
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50203502 (CHEMBL3940207) Show SMILES CN1CCN(CC1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H22Cl2N4O3S/c1-30-11-13-31(14-12-30)25(33)17-7-10-22-19(15-17)24(36-23-20(27)3-2-4-21(23)28)29-32(22)18-8-5-16(6-9-18)26(34)35/h2-10,15H,11-14H2,1H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galderma R&D Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...				Bioorg Med Chem Lett 26: 5802-5808 (2016) Article DOI: 10.1016/j.bmcl.2016.10.023 BindingDB Entry DOI: 10.7270/Q2D79DDH
					More data for this Ligand-Target Pair