BDBM50192016 CHEMBL3939184

SMILES: CSCC[C@H](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](C)C(=O)N[C@H](CCCCN)C(O)=O

InChI Key: InChIKey=YWXBIHIVZZNMSD-HRCIWZLCSA-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 = 50192016   

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))	BDBM50192016 (CHEMBL3939184) Show SMILES CSCC[C@H](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](C)C(=O)N[C@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C65H98N16O12S/c1-37(2)53(62(90)75-48(28-32-94-6)58(86)79-52(35-42-36-72-46-21-11-10-19-44(42)46)59(87)73-39(5)55(83)76-49(64(92)93)22-13-15-30-67)81-63(91)54(38(3)4)80-61(89)51(34-41-24-26-43(82)27-25-41)78-60(88)50(33-40-17-8-7-9-18-40)77-57(85)47(23-16-31-71-65(69)70)74-56(84)45(68)20-12-14-29-66/h7-11,17-19,21,24-27,36-39,45,47-54,72,82H,12-16,20,22-23,28-35,66-68H2,1-6H3,(H,73,87)(H,74,84)(H,75,90)(H,76,83)(H,77,85)(H,78,88)(H,79,86)(H,80,89)(H,81,91)(H,92,93)(H4,69,70,71)/t39-,45+,47-,48-,49+,50-,51-,52-,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.70E+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