BDBM50012292 AcMet-Val-Val-Ala-Ser-Gln-Leu-Arg-Ala-Asn-Ile-Ser-His-Lys-Asp-Met-Gln-Leu-Gly-Arg::CHEMBL414570

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=GZDLHKPJFOKVGS-AARDHVDMSA-N

Data: 1 KI

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 1 hit for monomerid = 50012292   

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))	BDBM50012292 (AcMet-Val-Val-Ala-Ser-Gln-Leu-Arg-Ala-Asn-Ile-Ser-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C96H166N32O29S2/c1-16-49(10)75(93(155)125-67(43-130)90(152)122-63(37-53-40-105-44-109-53)86(148)114-54(21-17-18-30-97)80(142)123-65(39-72(136)137)87(149)118-59(29-34-159-15)83(145)116-56(24-26-68(98)132)81(143)120-61(35-45(2)3)78(140)108-41-71(135)113-60(94(156)157)23-20-32-107-96(103)104)128-88(150)64(38-70(100)134)119-76(138)50(11)110-79(141)55(22-19-31-106-95(101)102)115-85(147)62(36-46(4)5)121-82(144)57(25-27-69(99)133)117-89(151)66(42-129)124-77(139)51(12)111-91(153)73(47(6)7)127-92(154)74(48(8)9)126-84(146)58(28-33-158-14)112-52(13)131/h40,44-51,54-67,73-75,129-130H,16-39,41-43,97H2,1-15H3,(H2,98,132)(H2,99,133)(H2,100,134)(H,105,109)(H,108,140)(H,110,141)(H,111,153)(H,112,131)(H,113,135)(H,114,148)(H,115,147)(H,116,145)(H,117,151)(H,118,149)(H,119,138)(H,120,143)(H,121,144)(H,122,152)(H,123,142)(H,124,139)(H,125,155)(H,126,146)(H,127,154)(H,128,150)(H,136,137)(H,156,157)(H4,101,102,106)(H4,103,104,107)/t49-,50-,51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-C5a anaphylatoxin chemotactic receptor binding to PMNL membranes.				J Med Chem 34: 2068-71 (1991) BindingDB Entry DOI: 10.7270/Q21Z43C8
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