BDBM50229889 CHEMBL3350366

SMILES: CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O

InChI Key: InChIKey=XXDLOHZVOJSAGZ-NCCCHPRSSA-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 = 50229889   

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 (Homo sapiens (Human))	BDBM50229889 (CHEMBL3350366) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:29.31,46.48,7.7,wD:18.19,37.39,3.2,65.68,60.63,(26.15,-13.44,;24.8,-12.7,;23.48,-13.5,;24.76,-11.16,;23.42,-10.42,;22.1,-11.22,;22.13,-12.75,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;23.39,-8.89,;24.71,-8.1,;24.68,-6.56,;23.33,-5.81,;22.01,-6.61,;19.43,-11.27,;18.08,-10.53,;18.06,-9,;16.77,-11.33,;16.8,-12.88,;18.16,-13.62,;18.19,-15.16,;19.54,-15.9,;20.86,-15.1,;20.82,-13.56,;19.47,-12.82,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;26.09,-10.37,;26.06,-8.83,;27.44,-11.11,;28.75,-10.31,;28.72,-8.77,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C50H84N14O12/c1-28(2)41(48(74)57-29(3)42(68)60-35(49(75)76)19-13-21-55-50(52)53)64-47(73)37(23-32-16-9-6-10-17-32)62-44(70)36(22-31-14-7-5-8-15-31)61-46(72)39(25-40(66)67)63-43(69)34(18-11-12-20-51)59-45(71)38(58-30(4)65)24-33-26-54-27-56-33/h26-29,31-32,34-39,41H,5-25,51H2,1-4H3,(H,54,56)(H,57,74)(H,58,65)(H,59,71)(H,60,68)(H,61,72)(H,62,70)(H,63,69)(H,64,73)(H,66,67)(H,75,76)(H4,52,53,55)/t29-,34+,35+,36+,37+,38+,39+,41+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor				J Med Chem 35: 220-3 (1992) BindingDB Entry DOI: 10.7270/Q21G0K7X
					More data for this Ligand-Target Pair