BDBM50538000 CHEMBL4646827

SMILES: OC(=O)[C@H](CCNC(=O)CCCCc1ccc2CCCNc2n1)NC(=O)c1nc2ccccc2s1

InChI Key: InChIKey=KTUVKFWKEFPNLW-IBGZPJMESA-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 = 50538000   

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))	BDBM50538000 (CHEMBL4646827) Show SMILES OC(=O)[C@H](CCNC(=O)CCCCc1ccc2CCCNc2n1)NC(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C25H29N5O4S/c31-21(10-4-1-7-17-12-11-16-6-5-14-27-22(16)28-17)26-15-13-19(25(33)34)29-23(32)24-30-18-8-2-3-9-20(18)35-24/h2-3,8-9,11-12,19H,1,4-7,10,13-15H2,(H,26,31)(H,27,28)(H,29,32)(H,33,34)/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics Curated by ChEMBL					Assay Description Inhibition of human integrin alphavbeta3 expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen preincubated for 20 mins foll...				J Med Chem 63: 5675-5696 (2020)
					More data for this Ligand-Target Pair