null

SMILES: COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1

InChI Key: InChIKey=KUUCRERQLRLCSS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50413240   

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 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by whole cell binding assay				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay in presence of [35S]GTPgammaS				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor expressed in HEK cells assessed as inhibition of C5a-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair