BDBM50518248 CHEMBL4580142

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(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)CN2

InChI Key: InChIKey=HOZSSPDMEGMADZ-AQCGYGJGSA-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 = 50518248   

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))	BDBM50518248 (CHEMBL4580142) 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(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)CN2 |r| Show InChI InChI=1S/C74H111N21O19S2/c1-3-40(2)59-69(111)91-53-39-116-115-38-52(82-36-43(16-9-27-80-73(76)77)83-61(103)48(34-57(98)99)87-63(105)49(35-58(100)101)88-67(109)54-19-11-29-93(54)71(113)50(89-66(53)108)33-41-14-5-4-6-15-41)65(107)86-47(32-42-22-24-44(97)25-23-42)62(104)84-45(17-7-8-26-75)60(102)90-51(37-96)64(106)85-46(18-10-28-81-74(78)79)70(112)95-31-13-21-56(95)72(114)94-30-12-20-55(94)68(110)92-59/h4-6,14-15,22-25,40,43,45-56,59,82,96-97H,3,7-13,16-21,26-39,75H2,1-2H3,(H,83,103)(H,84,104)(H,85,106)(H,86,107)(H,87,105)(H,88,109)(H,89,108)(H,90,102)(H,91,111)(H,92,110)(H,98,99)(H,100,101)(H4,76,77,80)(H4,78,79,81)/t40-,43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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