null

SMILES: Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1

InChI Key: InChIKey=NGLDQEAARWHFFU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50141311   

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-V/beta-5 (Homo sapiens (Human))	BDBM50141311 (3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...) Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23| Show InChI InChI=1S/C21H22N4O3/c1-13-10-15(6-7-18(26)27)11-14(2)19(13)25-20(28)16-4-3-5-17(12-16)24-21-22-8-9-23-21/h3-7,10-12H,8-9H2,1-2H3,(H,25,28)(H,26,27)(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50141311 (3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...) Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23| Show InChI InChI=1S/C21H22N4O3/c1-13-10-15(6-7-18(26)27)11-14(2)19(13)25-20(28)16-4-3-5-17(12-16)24-21-22-8-9-23-21/h3-7,10-12H,8-9H2,1-2H3,(H,25,28)(H,26,27)(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50141311 (3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...) Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23| Show InChI InChI=1S/C21H22N4O3/c1-13-10-15(6-7-18(26)27)11-14(2)19(13)25-20(28)16-4-3-5-17(12-16)24-21-22-8-9-23-21/h3-7,10-12H,8-9H2,1-2H3,(H,25,28)(H,26,27)(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50141311 (3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...) Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23| Show InChI InChI=1S/C21H22N4O3/c1-13-10-15(6-7-18(26)27)11-14(2)19(13)25-20(28)16-4-3-5-17(12-16)24-21-22-8-9-23-21/h3-7,10-12H,8-9H2,1-2H3,(H,25,28)(H,26,27)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50141311 (3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...) Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23| Show InChI InChI=1S/C21H22N4O3/c1-13-10-15(6-7-18(26)27)11-14(2)19(13)25-20(28)16-4-3-5-17(12-16)24-21-22-8-9-23-21/h3-7,10-12H,8-9H2,1-2H3,(H,25,28)(H,26,27)(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair