BDBM50518245 CHEMBL4471930

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2

InChI Key: InChIKey=UBJMBPBHQIYLRI-UFUSHNEESA-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 = 50518245   

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
Plasminogen (Homo sapiens (Human))	BDBM50518245 (CHEMBL4471930) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C72H108N22O17S2/c1-3-39(2)57-67(108)90-51-38-113-112-37-50(89-59(100)43(17-9-27-79-71(75)76)82-56(98)35-81-58(99)47(34-55(74)97)86-65(106)52-19-11-29-92(52)69(110)48(87-64(51)105)33-40-14-5-4-6-15-40)63(104)85-46(32-41-22-24-42(96)25-23-41)61(102)83-44(16-7-8-26-73)60(101)88-49(36-95)62(103)84-45(18-10-28-80-72(77)78)68(109)94-31-13-21-54(94)70(111)93-30-12-20-53(93)66(107)91-57/h4-6,14-15,22-25,39,43-54,57,95-96H,3,7-13,16-21,26-38,73H2,1-2H3,(H2,74,97)(H,81,99)(H,82,98)(H,83,102)(H,84,103)(H,85,104)(H,86,106)(H,87,105)(H,88,101)(H,89,100)(H,90,108)(H,91,107)(H4,75,76,79)(H4,77,78,80)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins				J Med Chem 62: 552-560 (2019) Article DOI: 10.1021/acs.jmedchem.8b01139
					More data for this Ligand-Target Pair