BDBM50333899 (S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(1H-indole-3-carboxamido)propanoic acid::CHEMBL1644113

SMILES: OC(=O)[C@H](CNC(=O)c1c[nH]c2ccccc12)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=SEEYXMAOXPVGKQ-QHCPKHFHSA-N

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 = 50333899   

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
Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50333899 ((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...) Show SMILES OC(=O)[C@H](CNC(=O)c1c[nH]c2ccccc12)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H23Cl3N4O5/c30-17-7-5-15(6-8-17)28(39)36-10-9-18-16(14-36)11-21(31)24(25(18)32)27(38)35-23(29(40)41)13-34-26(37)20-12-33-22-4-2-1-3-19(20)22/h1-8,11-12,23,33H,9-10,13-14H2,(H,34,37)(H,35,38)(H,40,41)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells				Bioorg Med Chem Lett 21: 307-10 (2010) Article DOI: 10.1016/j.bmcl.2010.11.014 BindingDB Entry DOI: 10.7270/Q2WW7HXM
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