BDBM170821 US9085555, 249

SMILES: NC(=O)n1cc(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12

InChI Key: InChIKey=WNBXMRWWKQPEIH-UGSOOPFHSA-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 = 170821   

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
Complement factor D (Homo sapiens (Human))	BDBM170821 (US9085555, 249) Show SMILES NC(=O)n1cc(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r| Show InChI InChI=1S/C22H20F3N5O5/c23-22(24,25)35-14-5-3-4-12(8-14)27-19(32)18-9-13(31)10-30(18)21(34)28-16-11-29(20(26)33)17-7-2-1-6-15(16)17/h1-8,11,13,18,31H,9-10H2,(H2,26,33)(H,27,32)(H,28,34)/t13-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...				US Patent US9085555 (2015) BindingDB Entry DOI: 10.7270/Q2RN36MP
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM170821 (US9085555, 249) Show SMILES NC(=O)n1cc(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r| Show InChI InChI=1S/C22H20F3N5O5/c23-22(24,25)35-14-5-3-4-12(8-14)27-19(32)18-9-13(31)10-30(18)21(34)28-16-11-29(20(26)33)17-7-2-1-6-15(16)17/h1-8,11,13,18,31H,9-10H2,(H2,26,33)(H,27,32)(H,28,34)/t13-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant human complement factor D catalytic domain using Z-Lys-thiobenzylester as substrate preincubated for 1 hr followed by subst...				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM170821 (US9085555, 249) Show SMILES NC(=O)n1cc(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r| Show InChI InChI=1S/C22H20F3N5O5/c23-22(24,25)35-14-5-3-4-12(8-14)27-19(32)18-9-13(31)10-30(18)21(34)28-16-11-29(20(26)33)17-7-2-1-6-15(16)17/h1-8,11,13,18,31H,9-10H2,(H2,26,33)(H,27,32)(H,28,34)/t13-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
					More data for this Ligand-Target Pair