null

SMILES: CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12

InChI Key: InChIKey=REZIDSMJLKSTKW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50458200   

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 (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((20-methoxy-[1,10-bip...				Eur J Med Chem 148: 465-476 (2018) Article DOI: 10.1016/j.ejmech.2018.02.050 BindingDB Entry DOI: 10.7270/Q26Q20VP
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat (unknown origin) expressed in human Jurkat cells assessed as inhibition of transcriptional activity after overn...				Bioorg Med Chem 26: 721-736 (2018) Article DOI: 10.1016/j.bmc.2017.12.039 BindingDB Entry DOI: 10.7270/Q2542R7J
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat (unknown origin) expressed in human Jurkat cells assessed as inhibition of transcriptional activity after overn...				Bioorg Med Chem 26: 721-736 (2018) Article DOI: 10.1016/j.bmc.2017.12.039 BindingDB Entry DOI: 10.7270/Q2542R7J
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)...				Bioorg Med Chem 26: 721-736 (2018) Article DOI: 10.1016/j.bmc.2017.12.039 BindingDB Entry DOI: 10.7270/Q2542R7J
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat (unknown origin) expressed in human Jurkat cells assessed as inhibition of transcriptional activity after overn...				Bioorg Med Chem 26: 721-736 (2018) Article DOI: 10.1016/j.bmc.2017.12.039 BindingDB Entry DOI: 10.7270/Q2542R7J
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)...				Bioorg Med Chem 26: 721-736 (2018) Article DOI: 10.1016/j.bmc.2017.12.039 BindingDB Entry DOI: 10.7270/Q2542R7J
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)...				Bioorg Med Chem 26: 721-736 (2018) Article DOI: 10.1016/j.bmc.2017.12.039 BindingDB Entry DOI: 10.7270/Q2542R7J
					More data for this Ligand-Target Pair