BDBM171323 US9085555, 753

SMILES: NC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12

InChI Key: InChIKey=UFIYIMOWCVCOJB-JLZZUVOBSA-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 = 171323   

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))	BDBM171323 (US9085555, 753) Show SMILES NC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 |r| Show InChI InChI=1S/C22H20BrN5O3/c23-18-6-3-7-19(25-18)26-22(31)17-9-12-8-16(12)28(17)20(29)11-27-10-14(21(24)30)13-4-1-2-5-15(13)27/h1-7,10,12,16-17H,8-9,11H2,(H2,24,30)(H,25,26,31)/t12-,16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	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))	BDBM171323 (US9085555, 753) Show SMILES NC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 |r| Show InChI InChI=1S/C22H20BrN5O3/c23-18-6-3-7-19(25-18)26-22(31)17-9-12-8-16(12)28(17)20(29)11-27-10-14(21(24)30)13-4-1-2-5-15(13)27/h1-7,10,12,16-17H,8-9,11H2,(H2,24,30)(H,25,26,31)/t12-,16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand				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
Complement factor D (Homo sapiens (Human))	BDBM171323 (US9085555, 753) Show SMILES NC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 |r| Show InChI InChI=1S/C22H20BrN5O3/c23-18-6-3-7-19(25-18)26-22(31)17-9-12-8-16(12)28(17)20(29)11-27-10-14(21(24)30)13-4-1-2-5-15(13)27/h1-7,10,12,16-17H,8-9,11H2,(H2,24,30)(H,25,26,31)/t12-,16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+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