BDBM50229902 CHEMBL313562

SMILES: Cc1cc(N)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1

InChI Key: InChIKey=LJCXLBWWPFWXGP-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50229902   

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
C5a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50229902 (CHEMBL313562) Show SMILES Cc1cc(N)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 Show InChI InChI=1S/C22H20N6O2/c1-11-7-17(23)15-9-13(3-5-19(15)25-11)27-21(29)22(30)28-14-4-6-20-16(10-14)18(24)8-12(2)26-20/h3-10H,1-2H3,(H2,23,25)(H2,24,26)(H,27,29)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50229902 (CHEMBL313562) Show SMILES Cc1cc(N)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 Show InChI InChI=1S/C22H20N6O2/c1-11-7-17(23)15-9-13(3-5-19(15)25-11)27-21(29)22(30)28-14-4-6-20-16(10-14)18(24)8-12(2)26-20/h3-10H,1-2H3,(H2,23,25)(H2,24,26)(H,27,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair