Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'sielecki' and Initial = 'tm'   

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))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to purified platelet Fibrinogen Receptor				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387635 (CHEMBL2058338) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)19(28-4)11-17(16)23/h8-11,14,18H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387601 (CHEMBL2058596) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(F)c(cc3Cl)N(C)C)c2nc(C)c1=O Show InChI InChI=1S/C22H24ClFN4O/c1-5-18(13-6-7-13)28-21-20(26-12(2)22(28)29)14(8-9-25-21)15-10-17(24)19(27(3)4)11-16(15)23/h8-11,13,18H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387603 (CHEMBL2058598) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(Cl)cc3OC)c2nc(C)c1=O Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)17(23)11-19(16)28-4/h8-11,14,18H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of Fibrinogen Receptor integrin alphaIIb-beta3 in ELISA				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387618 (CHEMBL2057479) Show SMILES COCC(C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C21H21ClFN3O3/c1-11-21(27)26(17(10-28-2)12-4-5-12)20-19(25-11)13(6-7-24-20)14-8-16(23)18(29-3)9-15(14)22/h6-9,12,17H,4-5,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387639 (CHEMBL2058593) Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C21H21ClFN3O2/c1-4-17(12-5-6-12)26-20-19(25-11(2)21(26)27)13(7-8-24-20)14-9-16(23)18(28-3)10-15(14)22/h7-10,12,17H,4-6H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50086630 ((1-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isox...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N2CCCCC2CC(O)=O)C1 |t:10| Show InChI InChI=1S/C19H24N4O4/c20-19(21)13-6-4-12(5-7-13)16-10-15(27-22-16)11-17(24)23-8-2-1-3-14(23)9-18(25)26/h4-7,14-15H,1-3,8-11H2,(H3,20,21)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in human platelet rich plasma (hPRP)				Bioorg Med Chem Lett 10: 449-52 (2000) BindingDB Entry DOI: 10.7270/Q21Z43NV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50086630 ((1-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isox...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N2CCCCC2CC(O)=O)C1 |t:10| Show InChI InChI=1S/C19H24N4O4/c20-19(21)13-6-4-12(5-7-13)16-10-15(27-22-16)11-17(24)23-8-2-1-3-14(23)9-18(25)26/h4-7,14-15H,1-3,8-11H2,(H3,20,21)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of Platelet glycoprotein IIb/Platelet glycoprotein IIIa binding in unactivated human platelets				Bioorg Med Chem Lett 10: 449-52 (2000) BindingDB Entry DOI: 10.7270/Q21Z43NV
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387636 (CHEMBL2058589) Show SMILES CCOc1cc(Cl)c(cc1C)-c1ccnc2n(C(CC)C3CC3)c(=O)c(C)nc12 Show InChI InChI=1S/C23H26ClN3O2/c1-5-19(15-7-8-15)27-22-21(26-14(4)23(27)28)16(9-10-25-22)17-11-13(3)20(29-6-2)12-18(17)24/h9-12,15,19H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387617 (CHEMBL2057478) Show SMILES CCC(COC)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C20H21ClFN3O3/c1-5-12(10-27-3)25-19-18(24-11(2)20(25)26)13(6-7-23-19)14-8-16(22)17(28-4)9-15(14)21/h6-9,12H,5,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387616 (CHEMBL2057477) Show SMILES COc1ccc(c(C)c1)-c1ccnc2n(C(C3CC3)C3CC3)c(=O)c(C)nc12 Show InChI InChI=1S/C23H25N3O2/c1-13-12-17(28-3)8-9-18(13)19-10-11-24-22-20(19)25-14(2)23(27)26(22)21(15-4-5-15)16-6-7-16/h8-12,15-16,21H,4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387604 (CHEMBL2058599) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(Cl)c(OC)cc3OC)c2nc(C)c1=O Show InChI InChI=1S/C22H24ClN3O3/c1-5-17(13-6-7-13)26-21-20(25-12(2)22(26)27)14(8-9-24-21)15-10-16(23)19(29-4)11-18(15)28-3/h8-11,13,17H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387633 (CHEMBL2058336) Show SMILES CC[C@@H](C1CC1)n1c2nccc(-c3ccc(OC)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C21H22ClN3O2/c1-4-18(13-5-6-13)25-20-19(24-12(2)21(25)26)16(9-10-23-20)15-8-7-14(27-3)11-17(15)22/h7-11,13,18H,4-6H2,1-3H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387626 (CHEMBL2058329) Show SMILES CC[C@H](COC)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C19H19Cl2N3O2/c1-4-13(10-26-3)24-18-17(23-11(2)19(24)25)15(7-8-22-18)14-6-5-12(20)9-16(14)21/h5-9,13H,4,10H2,1-3H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in human platelet rich plasma (hPRP)				Bioorg Med Chem Lett 10: 449-52 (2000) BindingDB Entry DOI: 10.7270/Q21Z43NV
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387624 (CHEMBL2058327) Show SMILES CCCC(C1CC1)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C21H21Cl2N3O/c1-3-4-18(13-5-6-13)26-20-19(25-12(2)21(26)27)16(9-10-24-20)15-8-7-14(22)11-17(15)23/h7-11,13,18H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387637 (CHEMBL2058591) Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3cc(Cl)c(OC)cc3C)c2nc(C)c1=O |r| Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-11-17(23)19(28-4)10-12(16)2/h8-11,14,18H,5-7H2,1-4H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387634 (CHEMBL2058337) Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3ccc(OC)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C21H22ClN3O2/c1-4-18(13-5-6-13)25-20-19(24-12(2)21(25)26)16(9-10-23-20)15-8-7-14(27-3)11-17(15)22/h7-11,13,18H,4-6H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387602 (CHEMBL2058597) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C#N)c(C)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C22H21ClN4O/c1-4-19(14-5-6-14)27-21-20(26-13(3)22(27)28)16(7-8-25-21)17-10-15(11-24)12(2)9-18(17)23/h7-10,14,19H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387629 (CHEMBL2058332) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(C)cc3C)c2nc(C)c1=O Show InChI InChI=1S/C23H27N3O/c1-6-20(17-7-8-17)26-22-21(25-16(5)23(26)27)18(9-10-24-22)19-12-14(3)13(2)11-15(19)4/h9-12,17,20H,6-8H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387632 (CHEMBL2058335) Show SMILES CC[C@@H](C1CC1)n1c2nccc(-c3ccc(OC(F)F)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C21H20ClF2N3O2/c1-3-17(12-4-5-12)27-19-18(26-11(2)20(27)28)15(8-9-25-19)14-7-6-13(10-16(14)22)29-21(23)24/h6-10,12,17,21H,3-5H2,1-2H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387623 (CHEMBL2058326) Show SMILES CC[C@@H](C1CC1)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C20H19Cl2N3O/c1-3-17(12-4-5-12)25-19-18(24-11(2)20(25)26)15(8-9-23-19)14-7-6-13(21)10-16(14)22/h6-10,12,17H,3-5H2,1-2H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387600 (CHEMBL2057474) Show SMILES COCC(C1CC1)n1c2ncnc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C20H20ClFN4O3/c1-10-20(27)26(15(8-28-2)11-4-5-11)19-18(25-10)17(23-9-24-19)12-6-14(22)16(29-3)7-13(12)21/h6-7,9,11,15H,4-5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387622 (CHEMBL2058069) Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C20H19Cl2N3O/c1-3-17(12-4-5-12)25-19-18(24-11(2)20(25)26)15(8-9-23-19)14-7-6-13(21)10-16(14)22/h6-10,12,17H,3-5H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387628 (CHEMBL2058331) Show SMILES CCC(C1CC1)n1c2nccc(-c3ccc(C)cc3C)c2nc(C)c1=O Show InChI InChI=1S/C22H25N3O/c1-5-19(16-7-8-16)25-21-20(24-15(4)22(25)26)18(10-11-23-21)17-9-6-13(2)12-14(17)3/h6,9-12,16,19H,5,7-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387640 (CHEMBL2058594) Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3C)c2nc(C)c1=O |r| Show InChI InChI=1S/C22H24FN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-11-17(23)19(28-4)10-12(16)2/h8-11,14,18H,5-7H2,1-4H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387638 (CHEMBL2058592) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(Cl)c(OC(F)F)cc3C)c2nc(C)c1=O Show InChI InChI=1S/C22H22ClF2N3O2/c1-4-17(13-5-6-13)28-20-19(27-12(3)21(28)29)14(7-8-26-20)15-10-16(23)18(9-11(15)2)30-22(24)25/h7-10,13,17,22H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to activated human platelets				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387605 (CHEMBL2058600) Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3ccc(OC)cc3C)c2nc(C)c1=O |r| Show InChI InChI=1S/C22H25N3O2/c1-5-19(15-6-7-15)25-21-20(24-14(3)22(25)26)18(10-11-23-21)17-9-8-16(27-4)12-13(17)2/h8-12,15,19H,5-7H2,1-4H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to activated human platelets				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387608 (CHEMBL2058603) Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3cc(C)c(OC)nc3C)c2nc(C)c1=O |r| Show InChI InChI=1S/C22H26N4O2/c1-6-18(15-7-8-15)26-20-19(24-14(4)22(26)27)16(9-10-23-20)17-11-12(2)21(28-5)25-13(17)3/h9-11,15,18H,6-8H2,1-5H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387599 (CHEMBL2058590) Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(OC(C)C)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C24H28ClN3O2/c1-6-20(16-7-8-16)28-23-22(27-15(5)24(28)29)17(9-10-26-23)18-11-14(4)21(12-19(18)25)30-13(2)3/h9-13,16,20H,6-8H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387613 (CHEMBL2057473) Show SMILES CCC(COC)n1c2ncnc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C19H20ClFN4O3/c1-5-11(8-27-3)25-18-17(24-10(2)19(25)26)16(22-9-23-18)12-6-14(21)15(28-4)7-13(12)20/h6-7,9,11H,5,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387631 (CHEMBL2058334) Show SMILES CC[C@@H](C1CC1)n1c2nccc(-c3ccc(cc3Cl)C(F)(F)F)c2nc(C)c1=O |r| Show InChI InChI=1S/C21H19ClF3N3O/c1-3-17(12-4-5-12)28-19-18(27-11(2)20(28)29)15(8-9-26-19)14-7-6-13(10-16(14)22)21(23,24)25/h6-10,12,17H,3-5H2,1-2H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387609 (CHEMBL2058604) Show SMILES CC[C@@H](C1CC1)n1c2ncnc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C19H18Cl2N4O/c1-3-15(11-4-5-11)25-18-17(24-10(2)19(25)26)16(22-9-23-18)13-7-6-12(20)8-14(13)21/h6-9,11,15H,3-5H2,1-2H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058889 ((R)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50075566 ((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...) Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:20| Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16+/m1/s1	PDB 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
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against Fibrinogen Receptor				J Med Chem 42: 1178-92 (1999) Article DOI: 10.1021/jm980348t BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058900 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(=O)OC |c:16| Show InChI InChI=1S/C21H29N5O6/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29)/t15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058847 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC(F)(F)F)C(O)=O)C1 |t:10| Show InChI InChI=1S/C19H22F3N5O6/c20-19(21,22)5-6-32-18(31)26-14(17(29)30)9-25-15(28)8-12-7-13(27-33-12)10-1-3-11(4-2-10)16(23)24/h1-4,12,14H,5-9H2,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)/t12?,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058881 ((S)-2-(Butane-1-sulfonylamino)-3-{2-[3-(4-carbamim...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C19H27N5O6S/c1-2-3-8-31(28,29)24-16(19(26)27)11-22-17(25)10-14-9-15(23-30-14)12-4-6-13(7-5-12)18(20)21/h4-7,14,16,24H,2-3,8-11H2,1H3,(H3,20,21)(H,22,25)(H,26,27)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058848 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)CCc2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C24H27N5O5/c25-23(26)17-9-7-16(8-10-17)19-12-18(34-29-19)13-22(31)27-14-20(24(32)33)28-21(30)11-6-15-4-2-1-3-5-15/h1-5,7-10,18,20H,6,11-14H2,(H3,25,26)(H,27,31)(H,28,30)(H,32,33)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058858 ((R)-2-Butoxycarbonylamino-3-{2-[(S)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058853 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC2CCCC2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H31N5O6/c24-21(25)16-7-5-15(6-8-16)18-11-17(34-28-18)12-20(29)26-13-19(22(30)31)27-23(32)33-10-9-14-3-1-2-4-14/h5-8,14,17,19H,1-4,9-13H2,(H3,24,25)(H,26,29)(H,27,32)(H,30,31)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058866 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2Cl)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H24ClN5O6/c24-17-4-2-1-3-15(17)12-34-23(33)28-19(22(31)32)11-27-20(30)10-16-9-18(29-35-16)13-5-7-14(8-6-13)21(25)26/h1-8,16,19H,9-12H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t16?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058880 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC2CC2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H27N5O6/c22-19(23)14-5-3-13(4-6-14)16-9-15(32-26-16)10-18(27)24-11-17(20(28)29)25-21(30)31-8-7-12-1-2-12/h3-6,12,15,17H,1-2,7-11H2,(H3,22,23)(H,24,27)(H,25,30)(H,28,29)/t15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387612 (CHEMBL2057472) Show SMILES COc1ccc(c(C)c1)-c1ncnc2n(C(C3CC3)C3CC3)c(=O)c(C)nc12 Show InChI InChI=1S/C22H24N4O2/c1-12-10-16(28-3)8-9-17(12)18-19-21(24-11-23-18)26(22(27)13(2)25-19)20(14-4-5-14)15-6-7-15/h8-11,14-15,20H,4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50387611 (CHEMBL2058606) Show SMILES CCC(C1CC1)n1c2ncnc(-c3cc(Cl)c(OC(F)F)cc3C)c2nc(C)c1=O Show InChI InChI=1S/C21H21ClF2N4O2/c1-4-15(12-5-6-12)28-19-18(27-11(3)20(28)29)17(25-9-26-19)13-8-14(22)16(7-10(13)2)30-21(23)24/h7-9,12,15,21H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Antagonist activity at rat CFR1R				Bioorg Med Chem Lett 22: 4986-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.034 BindingDB Entry DOI: 10.7270/Q23X87Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058870 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CCCCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:18| Show InChI InChI=1S/C22H31N5O6/c1-2-3-4-5-10-32-22(31)26-18(21(29)30)13-25-19(28)12-16-11-17(27-33-16)14-6-8-15(9-7-14)20(23)24/h6-9,16,18H,2-5,10-13H2,1H3,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)/t16?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058871 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair

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