Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50009615   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082930 (CHEMBL117662 | [6-(4-Carbamimidoyl-benzoylamino)-1...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1 Show InChI InChI=1S/C20H19N3O4/c21-19(22)11-1-3-12(4-2-11)20(27)23-15-7-8-16-13(9-15)5-6-14(18(16)26)10-17(24)25/h1-4,7-9,14H,5-6,10H2,(H3,21,22)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082933 (CHEMBL323720 | [6-(4-Carbamimidoyl-benzoylamino)-c...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2OC(CC(O)=O)CCc2c1 Show InChI InChI=1S/C19H19N3O4/c20-18(21)11-1-3-12(4-2-11)19(25)22-14-6-8-16-13(9-14)5-7-15(26-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085605 (CHEMBL126411 | [6-(4-Carbamimidoyl-2-fluoro-benzoy...) Show SMILES NC(=N)c1ccc(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(F)c1 Show InChI InChI=1S/C20H18FN3O4/c21-16-8-12(19(22)23)3-5-15(16)20(28)24-13-4-6-14-10(7-13)1-2-11(18(14)27)9-17(25)26/h3-8,11H,1-2,9H2,(H3,22,23)(H,24,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085612 (CHEMBL126485 | [6-(4-Carbamimidoyl-2,6-difluoro-be...) Show SMILES NC(=N)c1cc(F)c(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(F)c1 Show InChI InChI=1S/C20H17F2N3O4/c21-14-6-11(19(23)24)7-15(22)17(14)20(29)25-12-3-4-13-9(5-12)1-2-10(18(13)28)8-16(26)27/h3-7,10H,1-2,8H2,(H3,23,24)(H,25,29)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085611 (CHEMBL127680 | {6-[(6-Carbamimidoyl-pyridine-3-car...) Show SMILES NC(=N)c1ccc(cn1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1 Show InChI InChI=1S/C19H18N4O4/c20-18(21)15-6-3-12(9-22-15)19(27)23-13-4-5-14-10(7-13)1-2-11(17(14)26)8-16(24)25/h3-7,9,11H,1-2,8H2,(H3,20,21)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085614 (CHEMBL338485 | [6-(4-Carbamimidoyl-2-chloro-benzoy...) Show SMILES NC(=N)c1ccc(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(Cl)c1 Show InChI InChI=1S/C20H18ClN3O4/c21-16-8-12(19(22)23)3-5-15(16)20(28)24-13-4-6-14-10(7-13)1-2-11(18(14)27)9-17(25)26/h3-8,11H,1-2,9H2,(H3,22,23)(H,24,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085607 (CHEMBL126365 | [1-Oxo-6-((E)-3-piperidin-4-yl-acry...) Show SMILES OC(=O)CC1CCc2cc(NC(=O)\C=C\C3CCNCC3)ccc2C1=O Show InChI InChI=1S/C20H24N2O4/c23-18(6-1-13-7-9-21-10-8-13)22-16-4-5-17-14(11-16)2-3-15(20(17)26)12-19(24)25/h1,4-6,11,13,15,21H,2-3,7-10,12H2,(H,22,23)(H,24,25)/b6-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085610 (CHEMBL127200 | [1-Oxo-6-(3-piperidin-4-yl-propiony...) Show SMILES OC(=O)CC1CCc2cc(NC(=O)CCC3CCNCC3)ccc2C1=O Show InChI InChI=1S/C20H26N2O4/c23-18(6-1-13-7-9-21-10-8-13)22-16-4-5-17-14(11-16)2-3-15(20(17)26)12-19(24)25/h4-5,11,13,15,21H,1-3,6-10,12H2,(H,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085606 (CHEMBL127355 | [6-(4-Carbamimidoyl-2-trifluorometh...) Show SMILES NC(=N)c1ccc(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F3N3O4/c22-21(23,24)16-8-12(19(25)26)3-5-15(16)20(31)27-13-4-6-14-10(7-13)1-2-11(18(14)30)9-17(28)29/h3-8,11H,1-2,9H2,(H3,25,26)(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085609 (CHEMBL128984 | {6-[(5-Carbamimidoyl-thiophene-2-ca...) Show SMILES NC(=N)c1ccc(s1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1 Show InChI InChI=1S/C18H17N3O4S/c19-17(20)13-5-6-14(26-13)18(25)21-11-3-4-12-9(7-11)1-2-10(16(12)24)8-15(22)23/h3-7,10H,1-2,8H2,(H3,19,20)(H,21,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085608 (CHEMBL338486 | [1-Oxo-6-(piperidin-4-ylmethoxycarb...) Show SMILES OC(=O)CC1CCc2cc(NC(=O)OCC3CCNCC3)ccc2C1=O Show InChI InChI=1S/C19H24N2O5/c22-17(23)10-14-2-1-13-9-15(3-4-16(13)18(14)24)21-19(25)26-11-12-5-7-20-8-6-12/h3-4,9,12,14,20H,1-2,5-8,10-11H2,(H,21,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085604 (CHEMBL127181 | [1-Oxo-6-(3-piperidin-4-yl-propylam...) Show SMILES OC(=O)CC1CCc2cc(NCCCC3CCNCC3)ccc2C1=O Show InChI InChI=1S/C20H28N2O3/c23-19(24)13-16-4-3-15-12-17(5-6-18(15)20(16)25)22-9-1-2-14-7-10-21-11-8-14/h5-6,12,14,16,21-22H,1-4,7-11,13H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085613 (CHEMBL126998 | {1-Oxo-6-[2-(piperidin-4-yloxy)-ace...) Show SMILES OC(=O)CC1CCc2cc(NC(=O)COC3CCNCC3)ccc2C1=O Show InChI InChI=1S/C19H24N2O5/c22-17(11-26-15-5-7-20-8-6-15)21-14-3-4-16-12(9-14)1-2-13(19(16)25)10-18(23)24/h3-4,9,13,15,20H,1-2,5-8,10-11H2,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair