BDBM50340880 2-(7-(3-(3-((3S,6R,11R,14S,19aS)-6-carbamoyl-3-(carboxymethyl)-14-(3-guanidinopropyl)-1,4,12,15-tetraoxohexadecahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14]dithiatetraazacycloheptadecin-11-ylamino)-3-oxopropyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trienyl)-3-(2-carboxyethyl)-1,1-dimethyl-1H-benzo[e]indolium::CHEMBL1761775

SMILES: [#6]C1([#6])\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]-[#6]=[#6]-[#6]2=[#7+](-[#6]-[#6]-[#6](=O)-[#7]-[#6@H]-3-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-4-[#6]-[#6]-[#6]-[#7]-4-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-3=O)-[#6](-[#7])=O)-c3ccc4ccccc4c3C2([#6])[#6])-[#7](-[#6]-[#6]-[#6](-[#8])=O)-c2ccc3ccccc3c12

InChI Key: InChIKey=GNTSHRQIGPPODG-GANWNZNHSA-O

Data: 1 IC50

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 = 50340880   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50340880 (2-(7-(3-(3-((3S,6R,11R,14S,19aS)-6-carbamoyl-3-(ca...) Show SMILES [#6]C1([#6])\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]-[#6]=[#6]-[#6]2=[#7+](-[#6]-[#6]-[#6](=O)-[#7]-[#6@H]-3-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-4-[#6]-[#6]-[#6]-[#7]-4-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-3=O)-[#6](-[#7])=O)-c3ccc4ccccc4c3C2([#6])[#6])-[#7](-[#6]-[#6]-[#6](-[#8])=O)-c2ccc3ccccc3c12 |r,w:10.10,8.8,c:11| Show InChI InChI=1S/C62H73N11O10S2/c1-61(2)48(22-8-6-5-7-9-23-49-62(3,4)54-40-19-13-11-17-38(40)25-27-46(54)72(49)33-29-51(75)76)71(45-26-24-37-16-10-12-18-39(37)53(45)61)32-28-50(74)67-44-36-85-84-35-43(55(63)79)70-56(80)42(34-52(77)78)69-58(82)47-21-15-31-73(47)59(83)41(68-57(44)81)20-14-30-66-60(64)65/h5-13,16-19,22-27,41-44,47H,14-15,20-21,28-36H2,1-4H3,(H11-,63,64,65,66,67,68,69,70,74,75,76,77,78,79,80,81,82)/p+1/t41-,42-,43-,44-,47-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay				Bioorg Med Chem Lett 21: 2116-20 (2011) Article DOI: 10.1016/j.bmcl.2011.01.133 BindingDB Entry DOI: 10.7270/Q23779ZW
					More data for this Ligand-Target Pair