BDBM50192011 CHEMBL3911226

SMILES: CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O

InChI Key: InChIKey=MOSCTOOZHKHJIG-BINYTJSZSA-N

Data: 1 Kd

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 = 50192011   

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
Leukocyte surface antigen CD47 (Homo sapiens (Human))	BDBM50192011 (CHEMBL3911226) Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C69H107N17O12/c1-6-7-24-50(61(90)84-56(39-45-40-77-49-25-12-11-22-47(45)49)64(93)79-51(26-14-17-34-71)60(89)81-53(68(97)98)27-15-18-35-72)80-66(95)57(41(2)3)86-67(96)58(42(4)5)85-65(94)55(38-44-29-31-46(87)32-30-44)83-63(92)54(37-43-20-9-8-10-21-43)82-62(91)52(28-19-36-76-69(74)75)78-59(88)48(73)23-13-16-33-70/h8-12,20-22,25,29-32,40-42,48,50-58,77,87H,6-7,13-19,23-24,26-28,33-39,70-73H2,1-5H3,(H,78,88)(H,79,93)(H,80,95)(H,81,89)(H,82,91)(H,83,92)(H,84,90)(H,85,94)(H,86,96)(H,97,98)(H4,74,75,76)/t48-,50?,51+,52+,53-,54+,55+,56+,57+,58+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
Sorbonne Universit£s Curated by ChEMBL					Assay Description Binding affinity to CD47 receptor in human biotinylated MEC1 cell membranes by biolayer interferometry				J Med Chem 59: 8412-21 (2016) BindingDB Entry DOI: 10.7270/Q2251M4K
					More data for this Ligand-Target Pair