BindingDB PrimarySearch

null

SMILES: NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12

InChI Key: InChIKey=CWZUTHDJLNZLCM-DFBGVHRSSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 171350
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Complement factor D (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	9	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
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
Novartis Pharma AG					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	4
Novartis Pharma AG					Assay Description Recombinant human FD (10 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in 0.1 M PBS (pH 7.4) ...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
Novartis Pharma AG					More data for this Ligand-Target Pair				3D Structure (crystal)
Kallikrein-7 [37-253,Y180R] (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	5.6	25
Novartis Pharma AG					Assay Description Recombinant human KLK7 (5 nM concentration) was pre-incubated with inhibitor at various concentrations for 1 h at room temperature in 50 mM sodium ci...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
Novartis Pharma AG					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.117034 BindingDB Entry DOI: 10.7270/Q24X5CW8
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Evaluated for the Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of dofetilide binding to human ERG				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of complement factor D in human whole blood assessed as decrease in zymosan-induced AP activation mediated soluble MAC complex formation p...				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair