BDBM50201569 CHEMBL3924715

SMILES: Brc1cccc(NC(=O)[C@@H]2SCCN2C(=O)Cn2ncc3ccccc23)n1

InChI Key: InChIKey=JSZBVXMPHMCOIC-SFHVURJKSA-N

Data: 2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50201569   

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))	BDBM50201569 (CHEMBL3924715) Show SMILES Brc1cccc(NC(=O)[C@@H]2SCCN2C(=O)Cn2ncc3ccccc23)n1 |r| Show InChI InChI=1S/C18H16BrN5O2S/c19-14-6-3-7-15(21-14)22-17(26)18-23(8-9-27-18)16(25)11-24-13-5-2-1-4-12(13)10-20-24/h1-7,10,18H,8-9,11H2,(H,21,22,26)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 6His-tagged/biotinylated complement factor D (26 to 253 residues) expressed in Sf9 insect cells by b...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM50201569 (CHEMBL3924715) Show SMILES Brc1cccc(NC(=O)[C@@H]2SCCN2C(=O)Cn2ncc3ccccc23)n1 |r| Show InChI InChI=1S/C18H16BrN5O2S/c19-14-6-3-7-15(21-14)22-17(26)18-23(8-9-27-18)16(25)11-24-13-5-2-1-4-12(13)10-20-24/h1-7,10,18H,8-9,11H2,(H,21,22,26)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human complement factor D preincubated for 1 hr followed by addition of Z-Lys-thiobenzyl ester as substrate measured over 5...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM50201569 (CHEMBL3924715) Show SMILES Brc1cccc(NC(=O)[C@@H]2SCCN2C(=O)Cn2ncc3ccccc23)n1 |r| Show InChI InChI=1S/C18H16BrN5O2S/c19-14-6-3-7-15(21-14)22-17(26)18-23(8-9-27-18)16(25)11-24-13-5-2-1-4-12(13)10-20-24/h1-7,10,18H,8-9,11H2,(H,21,22,26)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human serum factor D-mediated complement activation in rabbit erythrocytes assessed as reduction in rabbit erythrocyte hemolysis preinc...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair				3D Structure (crystal)