BDBM50192009 CHEMBL3946082

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(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=FKPSPUPLFAWXTN-XJIZABAQSA-N

Data: 2 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 2 hits for monomerid = 50192009   

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))	BDBM50192009 (CHEMBL3946082) 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(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C58H84N14O10S/c1-33(2)48(56(81)67-44(25-28-83-6)52(77)70-47(31-38-32-64-41-18-11-10-17-40(38)41)54(79)66-42(50(60)75)19-12-13-26-59)72-57(82)49(34(3)4)71-55(80)46(30-37-21-23-39(74)24-22-37)69-53(78)45(29-36-15-8-7-9-16-36)68-51(76)43(65-35(5)73)20-14-27-63-58(61)62/h7-11,15-18,21-24,32-34,42-49,64,74H,12-14,19-20,25-31,59H2,1-6H3,(H2,60,75)(H,65,73)(H,66,79)(H,67,81)(H,68,76)(H,69,78)(H,70,77)(H,71,80)(H,72,82)(H4,61,62,63)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	771	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 NT.115-labeled MEC1 cell membranes after 5 mins by MST assay				J Med Chem 59: 8412-21 (2016) BindingDB Entry DOI: 10.7270/Q2251M4K
					More data for this Ligand-Target Pair
Leukocyte surface antigen CD47 (Homo sapiens (Human))	BDBM50192009 (CHEMBL3946082) 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(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C58H84N14O10S/c1-33(2)48(56(81)67-44(25-28-83-6)52(77)70-47(31-38-32-64-41-18-11-10-17-40(38)41)54(79)66-42(50(60)75)19-12-13-26-59)72-57(82)49(34(3)4)71-55(80)46(30-37-21-23-39(74)24-22-37)69-53(78)45(29-36-15-8-7-9-16-36)68-51(76)43(65-35(5)73)20-14-27-63-58(61)62/h7-11,15-18,21-24,32-34,42-49,64,74H,12-14,19-20,25-31,59H2,1-6H3,(H2,60,75)(H,65,73)(H,66,79)(H,67,81)(H,68,76)(H,69,78)(H,70,77)(H,71,80)(H,72,82)(H4,61,62,63)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.50E+3	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