BDBM50537999 CHEMBL4634420

SMILES: [H][C@]12C(C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@H](CC(=O)NC)N(Cc2ccc(O)c(OC)c2)C(=O)O1)OC(=O)[C@@H](C)CC

InChI Key: InChIKey=XGCZRGJUCNQVCO-KQFRZQFWSA-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 = 50537999   

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 beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50537999 (CHEMBL4634420) Show SMILES [H][C@]12C(C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@H](CC(=O)NC)N(Cc2ccc(O)c(OC)c2)C(=O)O1)OC(=O)[C@@H](C)CC |r,c:6,9| Show InChI InChI=1S/C34H48N2O7/c1-7-21(3)33(39)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(38)35-5)36(34(40)42-26)19-23-9-13-28(37)29(16-23)41-6/h8-10,13-14,16,20-22,25-27,30,32,37H,7,11-12,15,17-19H2,1-6H3,(H,35,38)/t20-,21-,22-,25+,26+,27-,30?,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics Curated by ChEMBL					Assay Description Inhibition of human integrin alphaL beta2 assessed as reduction in integrin alphaL beta2/ICAM1 protein-protein interaction by ELISA				J Med Chem 63: 5675-5696 (2020)
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