BDBM50077493 CHEMBL2373542::H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-Lys-5-aminopentanoyl-Gly-gly-Gly-Gly-Phe-Lys-Pro-Cha-Trp-Arg-OH(C5a12-20-ahx-GGGG-FKPdCha-Wr)

SMILES: CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=MZPZCMDHKGWGOG-RRKOAMEBSA-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 = 50077493   

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))	BDBM50077493 (CHEMBL2373542 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C111H175N31O23/c1-66(2)94(141-108(162)95(67(3)4)140-105(159)87(64-143)139-104(158)86(57-72-59-120-65-128-72)137-99(153)78(35-15-21-47-114)131-101(155)83(55-70-41-43-73(144)44-42-70)135-96(150)75(117)32-13-19-45-112)107(161)132-79(36-16-22-48-115)98(152)130-77(34-14-20-46-113)97(151)121-50-24-18-40-89(145)124-60-90(146)125-61-91(147)126-62-92(148)127-63-93(149)129-82(53-68-27-7-5-8-28-68)100(154)133-80(37-17-23-49-116)109(163)142-52-26-39-88(142)106(160)138-84(54-69-29-9-6-10-30-69)102(156)136-85(56-71-58-123-76-33-12-11-31-74(71)76)103(157)134-81(110(164)165)38-25-51-122-111(118)119/h5,7-8,11-12,27-28,31,33,41-44,58-59,65-67,69,75,77-88,94-95,123,143-144H,6,9-10,13-26,29-30,32,34-40,45-57,60-64,112-117H2,1-4H3,(H,120,128)(H,121,151)(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,129,149)(H,130,152)(H,131,155)(H,132,161)(H,133,154)(H,134,157)(H,135,150)(H,136,156)(H,137,153)(H,138,160)(H,139,158)(H,140,159)(H,141,162)(H,164,165)(H4,118,119,122)/t75-,77-,78-,79-,80-,81+,82-,83-,84+,85-,86-,87-,88+,94-,95-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>174	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor				J Med Chem 42: 1965-74 (1999) Article DOI: 10.1021/jm9806594 BindingDB Entry DOI: 10.7270/Q2JQ106W
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human))	BDBM50077493 (CHEMBL2373542 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C111H175N31O23/c1-66(2)94(141-108(162)95(67(3)4)140-105(159)87(64-143)139-104(158)86(57-72-59-120-65-128-72)137-99(153)78(35-15-21-47-114)131-101(155)83(55-70-41-43-73(144)44-42-70)135-96(150)75(117)32-13-19-45-112)107(161)132-79(36-16-22-48-115)98(152)130-77(34-14-20-46-113)97(151)121-50-24-18-40-89(145)124-60-90(146)125-61-91(147)126-62-92(148)127-63-93(149)129-82(53-68-27-7-5-8-28-68)100(154)133-80(37-17-23-49-116)109(163)142-52-26-39-88(142)106(160)138-84(54-69-29-9-6-10-30-69)102(156)136-85(56-71-58-123-76-33-12-11-31-74(71)76)103(157)134-81(110(164)165)38-25-51-122-111(118)119/h5,7-8,11-12,27-28,31,33,41-44,58-59,65-67,69,75,77-88,94-95,123,143-144H,6,9-10,13-26,29-30,32,34-40,45-57,60-64,112-117H2,1-4H3,(H,120,128)(H,121,151)(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,129,149)(H,130,152)(H,131,155)(H,132,161)(H,133,154)(H,134,157)(H,135,150)(H,136,156)(H,137,153)(H,138,160)(H,139,158)(H,140,159)(H,141,162)(H,164,165)(H4,118,119,122)/t75-,77-,78-,79-,80-,81+,82-,83-,84+,85-,86-,87-,88+,94-,95-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>174	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor				J Med Chem 42: 1965-74 (1999) Article DOI: 10.1021/jm9806594 BindingDB Entry DOI: 10.7270/Q2JQ106W
					More data for this Ligand-Target Pair