Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'tjoeng' and Initial = 'fs'   

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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50064015 (7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...) Show SMILES CCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031555 ((S)-3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propion...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)N[C@@H](CC(O)=O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N5O4/c20-19(21)12-3-5-14(6-4-12)23-16(25)7-8-17(26)24-15(10-18(27)28)13-2-1-9-22-11-13/h1-6,9,11,15H,7-8,10H2,(H3,20,21)(H,23,25)(H,24,26)(H,27,28)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031545 ((S)-3-Benzo[1,3]dioxol-5-yl-3-[3-(4-carbamimidoyl-...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)N[C@@H](CC(O)=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C21H22N4O6/c22-21(23)12-1-4-14(5-2-12)24-18(26)7-8-19(27)25-15(10-20(28)29)13-3-6-16-17(9-13)31-11-30-16/h1-6,9,15H,7-8,10-11H2,(H3,22,23)(H,24,26)(H,25,27)(H,28,29)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062142 (4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...) Show SMILES CC1CC(C)N=C(N)C1 |t:5| Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031565 ((S)-3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propion...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)N[C@@H](CC(O)=O)C#C)cc1 Show InChI InChI=1S/C16H18N4O4/c1-2-11(9-15(23)24)19-13(21)7-8-14(22)20-12-5-3-10(4-6-12)16(17)18/h1,3-6,11H,7-9H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062142 (4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...) Show SMILES CC1CC(C)N=C(N)C1 |t:5| Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062133 (4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...) Show SMILES CC1CCN=C(N)C1 |t:4| Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031553 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)c2cnc3ccccc3c2)cc1 Show InChI InChI=1S/C23H23N5O4/c24-23(25)14-5-7-17(8-6-14)27-20(29)9-10-21(30)28-19(12-22(31)32)16-11-15-3-1-2-4-18(15)26-13-16/h1-8,11,13,19H,9-10,12H2,(H3,24,25)(H,27,29)(H,28,30)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031559 (3-Benzo[1,3]dioxol-5-yl-3-[3-(4-carbamimidoyl-phen...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C21H22N4O6/c22-21(23)12-1-4-14(5-2-12)24-18(26)7-8-19(27)25-15(10-20(28)29)13-3-6-16-17(9-13)31-11-30-16/h1-6,9,15H,7-8,10-11H2,(H3,22,23)(H,24,26)(H,25,27)(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	104	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031561 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES CCOc1ccc(cn1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H25N5O5/c1-2-31-19-10-5-14(12-24-19)16(11-20(29)30)26-18(28)9-8-17(27)25-15-6-3-13(4-7-15)21(22)23/h3-7,10,12,16H,2,8-9,11H2,1H3,(H3,22,23)(H,25,27)(H,26,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031544 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)C=C)cc1 Show InChI InChI=1S/C16H20N4O4/c1-2-11(9-15(23)24)19-13(21)7-8-14(22)20-12-5-3-10(4-6-12)16(17)18/h2-6,11H,1,7-9H2,(H3,17,18)(H,19,21)(H,20,22)(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	115	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031547 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N5O4/c20-19(21)12-3-5-14(6-4-12)23-16(25)7-8-17(26)24-15(10-18(27)28)13-2-1-9-22-11-13/h1-6,9,11,15H,7-8,10H2,(H3,20,21)(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031556 ((Aminobenzamidino)succinyl analogue | (S)-3-[3-(4-...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)N[C@@H](CC(O)=O)C=C)cc1 Show InChI InChI=1S/C16H20N4O4/c1-2-11(9-15(23)24)19-13(21)7-8-14(22)20-12-5-3-10(4-6-12)16(17)18/h2-6,11H,1,7-9H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031556 ((Aminobenzamidino)succinyl analogue | (S)-3-[3-(4-...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)N[C@@H](CC(O)=O)C=C)cc1 Show InChI InChI=1S/C16H20N4O4/c1-2-11(9-15(23)24)19-13(21)7-8-14(22)20-12-5-3-10(4-6-12)16(17)18/h2-6,11H,1,7-9H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031563 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)c2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C20H20F2N4O4/c21-14-6-3-12(9-15(14)22)16(10-19(29)30)26-18(28)8-7-17(27)25-13-4-1-11(2-5-13)20(23)24/h1-6,9,16H,7-8,10H2,(H3,23,24)(H,25,27)(H,26,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50064015 (7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...) Show SMILES CCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031550 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES CC(CC(O)=O)NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C15H20N4O4/c1-9(8-14(22)23)18-12(20)6-7-13(21)19-11-4-2-10(3-5-11)15(16)17/h2-5,9H,6-8H2,1H3,(H3,16,17)(H,18,20)(H,19,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50064018 (7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride | ...) Show SMILES NC1=NC(CC=C)CCCC1 |t:1| Show InChI InChI=1S/C9H16N2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062133 (4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...) Show SMILES CC1CCN=C(N)C1 |t:4| Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062132 (6-Propyl-piperidin-(2Z)-ylideneamine | CHEMBL6760) Show SMILES CCCC1CCCC(N)=N1 |c:8| Show InChI InChI=1S/C8H16N2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3,(H2,9,10)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031557 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES COCC#CC(CC(O)=O)NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C18H22N4O5/c1-27-10-2-3-14(11-17(25)26)22-16(24)9-8-15(23)21-13-6-4-12(5-7-13)18(19)20/h4-7,14H,8-11H2,1H3,(H3,19,20)(H,21,23)(H,22,24)(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	224	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031554 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)C#C)cc1 Show InChI InChI=1S/C16H18N4O4/c1-2-11(9-15(23)24)19-13(21)7-8-14(22)20-12-5-3-10(4-6-12)16(17)18/h1,3-6,11H,7-9H2,(H3,17,18)(H,19,21)(H,20,22)(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	256	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031552 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H22N4O4/c21-20(22)14-6-8-15(9-7-14)23-17(25)10-11-18(26)24-16(12-19(27)28)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50062142 (4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...) Show SMILES CC1CC(C)N=C(N)C1 |t:5| Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031539 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES CC(C)(C)C#CC(CC(O)=O)NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C20H26N4O4/c1-20(2,3)11-10-15(12-18(27)28)24-17(26)9-8-16(25)23-14-6-4-13(5-7-14)19(21)22/h4-7,15H,8-9,12H2,1-3H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031540 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H24N4O4/c22-21(23)15-6-8-16(9-7-15)24-18(26)10-11-19(27)25-17(13-20(28)29)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H3,22,23)(H,24,26)(H,25,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	321	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062137 (6-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26567...) Show SMILES CC1CCCC(N)=N1 |c:6| Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)	PDB MMDB 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	400	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50064015 (7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...) Show SMILES CCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity evaluated from soluble cell extract of human Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031558 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC=C)CC(O)=O)cc1 Show InChI InChI=1S/C17H22N4O4/c1-2-3-13(10-16(24)25)21-15(23)9-8-14(22)20-12-6-4-11(5-7-12)17(18)19/h2,4-7,13H,1,3,8-10H2,(H3,18,19)(H,20,22)(H,21,23)(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	491	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50049252 (2-Amino-5-(N-nitro-guanidino)-pentanoic acid | CHE...) Show SMILES N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-10(6(8)9)11(14)15/h4H,1-3,7H2,(H3,8,9)(H,12,13)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human Neuronal nitric oxide synthase				J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50049252 (2-Amino-5-(N-nitro-guanidino)-pentanoic acid | CHE...) Show SMILES N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-10(6(8)9)11(14)15/h4H,1-3,7H2,(H3,8,9)(H,12,13)/t4-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human Endothelial nitric oxide synthase				J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50064011 (7-Butyl-azepan-(2Z)-ylideneamine; hydrochloride | ...) Show SMILES CCCCC1CCCCC(N)=N1 |c:10| Show InChI InChI=1S/C10H20N2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3,(H2,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062131 (6-Trifluoromethyl-piperidin-(2Z)-ylideneamine | CH...) Show SMILES NC1=NC(CCC1)C(F)(F)F |t:1| Show InChI InChI=1S/C6H9F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h4H,1-3H2,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062131 (6-Trifluoromethyl-piperidin-(2Z)-ylideneamine | CH...) Show SMILES NC1=NC(CCC1)C(F)(F)F |t:1| Show InChI InChI=1S/C6H9F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h4H,1-3H2,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062137 (6-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26567...) Show SMILES CC1CCCC(N)=N1 |c:6| Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062132 (6-Propyl-piperidin-(2Z)-ylideneamine | CHEMBL6760) Show SMILES CCCC1CCCC(N)=N1 |c:8| Show InChI InChI=1S/C8H16N2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3,(H2,9,10)	PDB MMDB 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	500	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Tested for inhibition of mouse inducible nitric oxide synthase				J Med Chem 37: 3886-8 (1994) BindingDB Entry DOI: 10.7270/Q29P328V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031566 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES C[Si](C)(C)C#CC(CC(O)=O)NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H26N4O4Si/c1-28(2,3)11-10-15(12-18(26)27)23-17(25)9-8-16(24)22-14-6-4-13(5-7-14)19(20)21/h4-7,15H,8-9,12H2,1-3H3,(H3,20,21)(H,22,24)(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50064015 (7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...) Show SMILES CCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description The ability of compound to inhibit mouse Inducible nitric oxide synthase in LPS stimulated mouse RAW cells was determined				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50064018 (7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride | ...) Show SMILES NC1=NC(CC=C)CCCC1 |t:1| Show InChI InChI=1S/C9H16N2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description The ability of compound to inhibit mouse Inducible nitric oxide synthase in LPS stimulated mouse RAW cells was determined				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50062137 (6-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26567...) Show SMILES CC1CCCC(N)=N1 |c:6| Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062145 (3-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26716...) Show SMILES CC1CCCN=C1N |c:5| Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3,(H2,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50064011 (7-Butyl-azepan-(2Z)-ylideneamine; hydrochloride | ...) Show SMILES CCCCC1CCCCC(N)=N1 |c:10| Show InChI InChI=1S/C10H20N2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity evaluated from soluble cell extract of human nNeuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatogra...				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50064018 (7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride | ...) Show SMILES NC1=NC(CC=C)CCCC1 |t:1| Show InChI InChI=1S/C9H16N2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity evaluated from soluble cell extract of human Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062136 (6-Benzyl-piperidin-(2Z)-ylideneamine | CHEMBL6875) Show SMILES NC1=NC(Cc2ccccc2)CCC1 |t:1| Show InChI InChI=1S/C12H16N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)	PDB MMDB 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	900	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031551 (3-[5-(4-Carbamimidoyl-phenyl)-pent-4-enoylamino]-p...) Show SMILES NC(=[NH2+])c1ccc(\C=C\CCC(=O)N[C@@H](CC(O)=O)C=C)cc1 Show InChI InChI=1S/C17H21N3O3/c1-2-14(11-16(22)23)20-15(21)6-4-3-5-12-7-9-13(10-8-12)17(18)19/h2-3,5,7-10,14H,1,4,6,11H2,(H3,18,19)(H,20,21)(H,22,23)/p+1/b5-3+/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	904	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50049255 (CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...) Show SMILES NC1=NCCCC1 |t:1| Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human inducible nitric oxide synthase				J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031564 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C14H18N4O4/c15-14(16)9-1-3-10(4-2-9)18-12(20)6-5-11(19)17-8-7-13(21)22/h1-4H,5-8H2,(H3,15,16)(H,17,19)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research& Development Curated by ChEMBL					Assay Description Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).				J Med Chem 38: 2378-94 (1995) BindingDB Entry DOI: 10.7270/Q2RJ4K49
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50049255 (CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...) Show SMILES NC1=NCCCC1 |t:1| Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50049255 (CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...) Show SMILES NC1=NCCCC1 |t:1| Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair

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