BDBM50326049 (3S,6S,9S,12S,15S,18S,21S,24R)-1-((S)-1-((R)-2-amino-3-mercaptopropanoyl)pyrrolidin-2-yl)-21-(carboxymethyl)-12-(3-guanidinopropyl)-6,15-bis(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-24-(mercaptomethyl)-3-methyl-1,4,7,10,13,16,19,22-octaoxo-2,5,8,11,14,17,20,23-octaazapentacosan-25-oic acid::CHEMBL1240679

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#8])=O

InChI Key: InChIKey=DOMUPYNPHNKSQP-ZPJKPQIISA-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 = 50326049   

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
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50326049 ((3S,6S,9S,12S,15S,18S,21S,24R)-1-((S)-1-((R)-2-ami...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#8])=O |r| Show InChI InChI=1S/C51H75N13O16S2/c1-25(2)18-33(43(72)61-36(21-40(68)69)46(75)63-38(24-82)50(79)80)59-44(73)35(20-28-10-14-30(67)15-11-28)60-42(71)32(6-4-16-55-51(53)54)57-47(76)37(22-65)62-45(74)34(19-27-8-12-29(66)13-9-27)58-41(70)26(3)56-48(77)39-7-5-17-64(39)49(78)31(52)23-81/h8-15,25-26,31-39,65-67,81-82H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Molecular Biology, Medical Research Council Curated by ChEMBL					Assay Description Binding affinity to urokinase-type plasminogen activator				Nat Chem Biol 5: 502-7 (2009) Article DOI: 10.1038/nchembio.184 BindingDB Entry DOI: 10.7270/Q2Z60P9P
					More data for this Ligand-Target Pair