BDBM50446297 CHEMBL3109330

SMILES: CCCN(Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1)Cc1ccc(OC2CCCC2)cc1

InChI Key: InChIKey=IMVYQCSGVSLZOP-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50446297   

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))	BDBM50446297 (CHEMBL3109330) Show SMILES CCCN(Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1)Cc1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C32H40N2O4S/c1-3-21-34(24-27-11-17-30(18-12-27)38-29-7-5-6-8-29)23-26-9-15-28(16-10-26)33-32(35)22-25-13-19-31(20-14-25)39(36,37)4-2/h9-20,29H,3-8,21-24H2,1-2H3,(H,33,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50446297 (CHEMBL3109330) Show SMILES CCCN(Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1)Cc1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C32H40N2O4S/c1-3-21-34(24-27-11-17-30(18-12-27)38-29-7-5-6-8-29)23-26-9-15-28(16-10-26)33-32(35)22-25-13-19-31(20-14-25)39(36,37)4-2/h9-20,29H,3-8,21-24H2,1-2H3,(H,33,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inverse agonist activity at biotinylated human RORgammat expressed in Escherichia coli BL21 assessed as effect on recruitment of SRC1/2 after 1 hr by...				ACS Med Chem Lett 5: 65-8 (2014) Article DOI: 10.1021/ml4003875 BindingDB Entry DOI: 10.7270/Q2794654
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50446297 (CHEMBL3109330) Show SMILES CCCN(Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1)Cc1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C32H40N2O4S/c1-3-21-34(24-27-11-17-30(18-12-27)38-29-7-5-6-8-29)23-26-9-15-28(16-10-26)33-32(35)22-25-13-19-31(20-14-25)39(36,37)4-2/h9-20,29H,3-8,21-24H2,1-2H3,(H,33,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inverse agonist activity at biotinylated human RORgammat LBD expressed in Escherichia coli BL21 assessed as inhibition of SRC1 recruitment after 1 hr...				ACS Med Chem Lett 5: 65-8 (2014) Article DOI: 10.1021/ml4003875 BindingDB Entry DOI: 10.7270/Q2794654
					More data for this Ligand-Target Pair