BDBM359512 4-(1-(2-chloro-6-(1- cyanocyclopropyl) benzoyl)-6-(3- methoxyazetidine-1- carbonyl)-4,5,6,7- tetrahydro-1H- indazol-3-yl)-3- fluorobenzoic acid::US10221142, Example 13A-A::US10221142, Example 13A-B

SMILES: COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C#N

InChI Key: InChIKey=YXVWEEAIKPTUMW-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 = 359512   

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))	BDBM359512 (4-(1-(2-chloro-6-(1- cyanocyclopropyl) benzoyl)-6-...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C#N Show InChI InChI=1S/C30H26ClFN4O5/c1-41-18-13-35(14-18)27(37)16-5-8-20-24(12-16)36(34-26(20)19-7-6-17(29(39)40)11-23(19)32)28(38)25-21(3-2-4-22(25)31)30(15-33)9-10-30/h2-4,6-7,11,16,18H,5,8-10,12-14H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	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 US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM359512 (4-(1-(2-chloro-6-(1- cyanocyclopropyl) benzoyl)-6-...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C#N Show InChI InChI=1S/C30H26ClFN4O5/c1-41-18-13-35(14-18)27(37)16-5-8-20-24(12-16)36(34-26(20)19-7-6-17(29(39)40)11-23(19)32)28(38)25-21(3-2-4-22(25)31)30(15-33)9-10-30/h2-4,6-7,11,16,18H,5,8-10,12-14H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	642	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 US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair