BDBM50223891 (S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1-enylamino)-biphenyl-4-yl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL249990

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O

InChI Key: InChIKey=MLRJOXSFEYKLLF-VWLOTQADSA-N

Data: 2 KI  1 Kd

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 3 hits for monomerid = 50223891   

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))	BDBM50223891 ((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Healthcare AG Curated by ChEMBL					Assay Description Binding affinity to integrin alphavbeta3 receptor				Bioorg Med Chem Lett 17: 6151-4 (2007) Article DOI: 10.1016/j.bmcl.2007.09.039 BindingDB Entry DOI: 10.7270/Q2KS6R8S
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50223891 ((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Healthcare AG Curated by ChEMBL					Assay Description Binding affinity to GP2b3a receptor				Bioorg Med Chem Lett 17: 6151-4 (2007) Article DOI: 10.1016/j.bmcl.2007.09.039 BindingDB Entry DOI: 10.7270/Q2KS6R8S
					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50223891 ((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a
Bayer Healthcare AG Curated by ChEMBL					Assay Description Binding affinity to human serum albumin by equilibrium dialysis				Bioorg Med Chem Lett 17: 6151-4 (2007) Article DOI: 10.1016/j.bmcl.2007.09.039 BindingDB Entry DOI: 10.7270/Q2KS6R8S
					More data for this Ligand-Target Pair