BDBM50400274 CHEMBL2180765::US9085555, 373

SMILES: NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC#N)ccc12

InChI Key: InChIKey=SOCAXRLFGRNEPK-IFZYUDKTSA-N

Data: 2 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 2 hits for monomerid = 50400274   

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))	BDBM50400274 (CHEMBL2180765 | US9085555, 373) Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC#N)ccc12 |r| Show InChI InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human complement factor D after 1 hr				ACS Med Chem Lett 3: 781-782 (2012) Article DOI: 10.1021/ml300233n BindingDB Entry DOI: 10.7270/Q2SJ1MSD
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50400274 (CHEMBL2180765 | US9085555, 373) Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC#N)ccc12 |r| Show InChI InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	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