BDBM50110229 3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)hydrazino]carbonyl}amino)-3-(3,5-dichlorophenyl)propanoic acid::CHEMBL268056

SMILES: Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1

InChI Key: InChIKey=VNWMBEFZMNRHEI-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50110229   

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))	BDBM50110229 (3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...) Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of integrin alpha-v/beta-3 mediated M21 cell adhesion to vitronectin with monoclonal antibody P1F6				J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50110229 (3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...) Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to recombinant human platelet glycoprotein alpha IIb beta3 integrin				J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR
					More data for this Ligand-Target Pair
ITGAV/ITGB6 (Homo sapiens (Human))	BDBM50110229 (3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...) Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin				J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR
					More data for this Ligand-Target Pair
ITGAV/ITGB6 (Homo sapiens (Human))	BDBM50110229 (3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...) Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin				J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50110229 (3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...) Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of integrin alpha-v/beta-5 mediated UCLAP-3 cell adhesion on vitronectin				J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50110229 (3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...) Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human alphaV-beta3 integrin				J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50110229 (3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...) Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human alphaV-beta5 integrin				J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR
					More data for this Ligand-Target Pair