BDBM50376831 CHEMBL410032

SMILES: CCN(C1CCCc2nc(cc(Cl)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12

InChI Key: InChIKey=ILSLWVXGACTXAA-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50376831   

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 (C5aR) (Homo sapiens (Human))	BDBM50376831 (CHEMBL410032) Show SMILES CCN(C1CCCc2nc(cc(Cl)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C31H33ClN2/c1-4-21-13-9-14-22(5-2)30(21)27-20-25(32)31-26(33-27)17-11-19-29(31)34(6-3)28-18-10-15-23-12-7-8-16-24(23)28/h7-10,12-16,18,20,29H,4-6,11,17,19H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Displacement of [125I]C5a from human C5a receptor in U937 cells				Bioorg Med Chem Lett 18: 2544-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.049 BindingDB Entry DOI: 10.7270/Q2JM2BHD
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human))	BDBM50376831 (CHEMBL410032) Show SMILES CCN(C1CCCc2nc(cc(Cl)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C31H33ClN2/c1-4-21-13-9-14-22(5-2)30(21)27-20-25(32)31-26(33-27)17-11-19-29(31)34(6-3)28-18-10-15-23-12-7-8-16-24(23)28/h7-10,12-16,18,20,29H,4-6,11,17,19H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization				Bioorg Med Chem Lett 18: 2544-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.049 BindingDB Entry DOI: 10.7270/Q2JM2BHD
					More data for this Ligand-Target Pair