BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
50547856	CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3	WOBGBOUAUABUFZ-UHFFFAOYSA-N	50305735	CHEMBL595990::N,N'-(1,2-phenylene)bis(N-methyl-1-phenylmethanesulfonamide)	C5a anaphylatoxin chemotactic receptor 1	Rattus norvegicus		>60000							ChEMBL	10.1016/j.bmcl.2009.11.058	10.7270/Q2B8586C	20004096			Chen, JJ; Cole, DC; Ciszewski, G; Crouse, K; Ellingboe, JW; Nowak, P; Tawa, GJ; Berstein, G; Li, W	Wyeth Research	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305735	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004289&target=C5a+anaphylatoxin+chemotactic+receptor+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305735&enzyme=C5a+anaphylatoxin+chemotactic+receptor+1&column=ki&startPg=0&Increment=50&submit=Search			265219	104160096		CHEMBL595990				ZINC00636919	1	MDPISNDSSEITYDYSDGTPNPDMPADGVYIPKMEPGDIAALIIYLAVFLVGVTGNALVVWVTAFEAKRTVNAIWFLNLAVADLLSCLALPILFTSIVKHNHWPFGDQACIVLPSLILLNMYSSILLLATISADRFLLVFKPIWCQKFRRPGLAWMACGVTWVLALLLTIPSFVFRRIHKDPYSDSILCNIDYSKGPFFIEKAIAILRLMVGFVLPLLTLNICYTFLLIRTWSRKATRSTKTLKVVMAVVTCFFVFWLPYQVTGVILAWLPRSSSTFQSVERLNSLCVSLAYINCCVNPIIYVMAGQGFHGRLRRSLPSIIRNVLSEDSLGRDSKSFTRSTMDTSTQKSQAV		C5a anaphylatoxin chemotactic receptor 1	C5AR1_RAT	P97520	O09088						
50547857	Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1	InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3	WLHVFPKZYDQKGS-UHFFFAOYSA-N	50305737	CHEMBL604277::N,N'-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide)	C5a anaphylatoxin chemotactic receptor 1	Rattus norvegicus		>60000							ChEMBL	10.1016/j.bmcl.2009.11.058	10.7270/Q2B8586C	20004096			Chen, JJ; Cole, DC; Ciszewski, G; Crouse, K; Ellingboe, JW; Nowak, P; Tawa, GJ; Berstein, G; Li, W	Wyeth Research	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305737	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004289&target=C5a+anaphylatoxin+chemotactic+receptor+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305737&enzyme=C5a+anaphylatoxin+chemotactic+receptor+1&column=ki&startPg=0&Increment=50&submit=Search			3453336	104160098		CHEMBL604277				ZINC02573080	1	MDPISNDSSEITYDYSDGTPNPDMPADGVYIPKMEPGDIAALIIYLAVFLVGVTGNALVVWVTAFEAKRTVNAIWFLNLAVADLLSCLALPILFTSIVKHNHWPFGDQACIVLPSLILLNMYSSILLLATISADRFLLVFKPIWCQKFRRPGLAWMACGVTWVLALLLTIPSFVFRRIHKDPYSDSILCNIDYSKGPFFIEKAIAILRLMVGFVLPLLTLNICYTFLLIRTWSRKATRSTKTLKVVMAVVTCFFVFWLPYQVTGVILAWLPRSSSTFQSVERLNSLCVSLAYINCCVNPIIYVMAGQGFHGRLRRSLPSIIRNVLSEDSLGRDSKSFTRSTMDTSTQKSQAV		C5a anaphylatoxin chemotactic receptor 1	C5AR1_RAT	P97520	O09088						
50547858	CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1	InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3	UCDRKLUVICISKI-UHFFFAOYSA-N	50305731	CHEMBL604583::N,4-dimethyl-N-(2-(thiophene-3-carbonyl)phenyl)benzenesulfonamide	C5a anaphylatoxin chemotactic receptor 1	Rattus norvegicus		 3100							ChEMBL	10.1016/j.bmcl.2009.11.058	10.7270/Q2B8586C	20004096			Chen, JJ; Cole, DC; Ciszewski, G; Crouse, K; Ellingboe, JW; Nowak, P; Tawa, GJ; Berstein, G; Li, W	Wyeth Research	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305731	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004289&target=C5a+anaphylatoxin+chemotactic+receptor+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305731&enzyme=C5a+anaphylatoxin+chemotactic+receptor+1&column=ki&startPg=0&Increment=50&submit=Search			46225413	104160092		CHEMBL604583				ZINC45389850	1	MDPISNDSSEITYDYSDGTPNPDMPADGVYIPKMEPGDIAALIIYLAVFLVGVTGNALVVWVTAFEAKRTVNAIWFLNLAVADLLSCLALPILFTSIVKHNHWPFGDQACIVLPSLILLNMYSSILLLATISADRFLLVFKPIWCQKFRRPGLAWMACGVTWVLALLLTIPSFVFRRIHKDPYSDSILCNIDYSKGPFFIEKAIAILRLMVGFVLPLLTLNICYTFLLIRTWSRKATRSTKTLKVVMAVVTCFFVFWLPYQVTGVILAWLPRSSSTFQSVERLNSLCVSLAYINCCVNPIIYVMAGQGFHGRLRRSLPSIIRNVLSEDSLGRDSKSFTRSTMDTSTQKSQAV		C5a anaphylatoxin chemotactic receptor 1	C5AR1_RAT	P97520	O09088