BDBM50466900 CHEMBL4277076

SMILES: Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3ccccc3)ccc12

InChI Key: InChIKey=HDODSTJVQWRICU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50466900   

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-beta (Homo sapiens (Human))	BDBM50466900 (CHEMBL4277076) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C27H31N3O2/c1-29-18-24(19-13-15-30(16-14-19)27(32)21-9-5-6-10-21)23-17-22(11-12-25(23)29)28-26(31)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1H3,(H,28,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORB (unknown origin) assessed as inhibition of biotinylated co-activator SRC1-2 peptide recruitment after 3 hrs by TR-FR...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50466900 (CHEMBL4277076) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C27H31N3O2/c1-29-18-24(19-13-15-30(16-14-19)27(32)21-9-5-6-10-21)23-17-22(11-12-25(23)29)28-26(31)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50466900 (CHEMBL4277076) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C27H31N3O2/c1-29-18-24(19-13-15-30(16-14-19)27(32)21-9-5-6-10-21)23-17-22(11-12-25(23)29)28-26(31)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORA (unknown origin) assessed as inhibition of biotinylated co-activator SRC1-2 peptide recruitment after 3 hrs by TR-FR...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50466900 (CHEMBL4277076) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C27H31N3O2/c1-29-18-24(19-13-15-30(16-14-19)27(32)21-9-5-6-10-21)23-17-22(11-12-25(23)29)28-26(31)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair