BDBM50518242 CHEMBL4458397

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](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)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC

InChI Key: InChIKey=AMVNDXBEYOQKDS-MFPJKNJCSA-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 = 50518242   

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))	BDBM50518242 (CHEMBL4458397) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](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)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C67H104N20O18S2/c1-6-34(3)50-61(101)81-43-32-106-107-33-44(80-54(94)38(18-11-23-72-66(68)69)75-48(90)30-74-53(93)40(29-49(91)92)77-59(99)45-20-13-25-85(45)63(103)41(78-57(43)97)28-37-16-9-8-10-17-37)58(98)84-52(36(5)89)62(102)76-39(19-12-24-73-67(70)71)55(95)79-42(31-88)56(96)83-51(35(4)7-2)65(105)87-27-15-22-47(87)64(104)86-26-14-21-46(86)60(100)82-50/h8-10,16-17,34-36,38-47,50-52,88-89H,6-7,11-15,18-33H2,1-5H3,(H,74,93)(H,75,90)(H,76,102)(H,77,99)(H,78,97)(H,79,95)(H,80,94)(H,81,101)(H,82,100)(H,83,96)(H,84,98)(H,91,92)(H4,68,69,72)(H4,70,71,73)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	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