BDBM329706 1-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-1H- pyrazolo[4,3- b]pyridin-3- yl)piperidine-4- carboxylic acid::US9663522, 1M

SMILES: OC(=O)C1CCN(CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12

InChI Key: InChIKey=CDTBRAGUFMYFOW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 329706   

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))	BDBM329706 (1-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-1H- py...) Show SMILES OC(=O)C1CCN(CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C20H16ClF3N4O3/c21-13-4-1-3-12(20(22,23)24)15(13)18(29)28-14-5-2-8-25-16(14)17(26-28)27-9-6-11(7-10-27)19(30)31/h1-5,8,11H,6-7,9-10H2,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US9663522 (2017) BindingDB Entry DOI: 10.7270/Q2S46V33
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM329706 (1-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-1H- py...) Show SMILES OC(=O)C1CCN(CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C20H16ClF3N4O3/c21-13-4-1-3-12(20(22,23)24)15(13)18(29)28-14-5-2-8-25-16(14)17(26-28)27-9-6-11(7-10-27)19(30)31/h1-5,8,11H,6-7,9-10H2,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM329706 (1-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-1H- py...) Show SMILES OC(=O)C1CCN(CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C20H16ClF3N4O3/c21-13-4-1-3-12(20(22,23)24)15(13)18(29)28-14-5-2-8-25-16(14)17(26-28)27-9-6-11(7-10-27)19(30)31/h1-5,8,11H,6-7,9-10H2,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431
					More data for this Ligand-Target Pair