Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'moormann' and Initial = 'ae'   

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
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181844 ((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 4-amin...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C16H21ClN2O3/c1-21-15-8-13(18)12(17)7-11(15)16(20)22-9-10-4-6-19-5-2-3-14(10)19/h7-8,10,14H,2-6,9,18H2,1H3/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181840 ((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-Meth...) Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12 Show InChI InChI=1S/C17H20N2O2/c20-17(14-10-18-15-5-2-1-4-13(14)15)21-11-12-7-9-19-8-3-6-16(12)19/h1-2,4-5,10,12,16,18H,3,6-9,11H2/t12-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181845 ((1S,7aS)-1-{[(4-amino-5-chloro-2-methoxybenzoyl)am...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12 Show InChI InChI=1S/C17H24ClN3O2/c1-21-6-3-4-15(21)11(5-7-21)10-20-17(22)12-8-13(18)14(19)9-16(12)23-2/h8-9,11,15H,3-7,10H2,1-2H3,(H2-,19,20,22)/p+1/t11-,15-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181837 ((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-meth...) Show SMILES Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-19-15-6-3-2-5-13(15)16(18-19)17(21)22-11-12-8-10-20-9-4-7-14(12)20/h2-3,5-6,12,14H,4,7-11H2,1H3/t12-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181842 ((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 5-Fluo...) Show SMILES Fc1ccc2[nH]cc(C(=O)OC[C@@H]3CCN4CCC[C@@H]34)c2c1 Show InChI InChI=1S/C17H19FN2O2/c18-12-3-4-15-13(8-12)14(9-19-15)17(21)22-10-11-5-7-20-6-1-2-16(11)20/h3-4,8-9,11,16,19H,1-2,5-7,10H2/t11-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181841 ((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-ind...) Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12 Show InChI InChI=1S/C16H19N3O2/c20-16(15-12-4-1-2-5-13(12)17-18-15)21-10-11-7-9-19-8-3-6-14(11)19/h1-2,4-5,11,14H,3,6-10H2,(H,17,18)/t11-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181836 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181839 (CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...) Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1 Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181840 ((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-Meth...) Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12 Show InChI InChI=1S/C17H20N2O2/c20-17(14-10-18-15-5-2-1-4-13(14)15)21-11-12-7-9-19-8-3-6-16(12)19/h1-2,4-5,10,12,16,18H,3,6-9,11H2/t12-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50005833 ((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181843 (CHEMBL201414 | cis-N-[(hexahydro-1H-pyrrolizin-l-y...) Show SMILES CC(C)n1c2ccccc2n(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c1=O Show InChI InChI=1S/C19H26N4O2/c1-13(2)22-16-6-3-4-7-17(16)23(19(22)25)18(24)20-12-14-9-11-21-10-5-8-15(14)21/h3-4,6-7,13-15H,5,8-12H2,1-2H3,(H,20,24)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181842 ((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 5-Fluo...) Show SMILES Fc1ccc2[nH]cc(C(=O)OC[C@@H]3CCN4CCC[C@@H]34)c2c1 Show InChI InChI=1S/C17H19FN2O2/c18-12-3-4-15-13(8-12)14(9-19-15)17(21)22-10-11-5-7-20-6-1-2-16(11)20/h3-4,8-9,11,16,19H,1-2,5-7,10H2/t11-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181843 (CHEMBL201414 | cis-N-[(hexahydro-1H-pyrrolizin-l-y...) Show SMILES CC(C)n1c2ccccc2n(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c1=O Show InChI InChI=1S/C19H26N4O2/c1-13(2)22-16-6-3-4-7-17(16)23(19(22)25)18(24)20-12-14-9-11-21-10-5-8-15(14)21/h3-4,6-7,13-15H,5,8-12H2,1-2H3,(H,20,24)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181837 ((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-meth...) Show SMILES Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-19-15-6-3-2-5-13(15)16(18-19)17(21)22-11-12-8-10-20-9-4-7-14(12)20/h2-3,5-6,12,14H,4,7-11H2,1H3/t12-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181838 (4-amino-5-chloro-2-ethoxy-N-[(1S,7aS)-hexahydro-1H...) Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C17H24ClN3O2/c1-2-23-16-9-14(19)13(18)8-12(16)17(22)20-10-11-5-7-21-6-3-4-15(11)21/h8-9,11,15H,2-7,10,19H2,1H3,(H,20,22)/t11-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50181836 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181844 ((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 4-amin...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C16H21ClN2O3/c1-21-15-8-13(18)12(17)7-11(15)16(20)22-9-10-4-6-19-5-2-3-14(10)19/h7-8,10,14H,2-6,9,18H2,1H3/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50005841 ((exo) 4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-y...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN2CCC[C@H]12 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181841 ((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-ind...) Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12 Show InChI InChI=1S/C16H19N3O2/c20-16(15-12-4-1-2-5-13(12)17-18-15)21-10-11-7-9-19-8-3-6-14(11)19/h1-2,4-5,11,14H,3,6-10H2,(H,17,18)/t11-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50005833 ((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50181839 (CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...) Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1 Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2 receptor				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-1 receptor				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104649 (7-(2-Nitro-ethyl)-azepan-(2Z)-ylideneamine | CHEMB...) Show SMILES [O-][N+](=O)CCC1CCCCC(=[NH2+])[N-]1 Show InChI InChI=1S/C8H14N3O2/c9-8-4-2-1-3-7(10-8)5-6-11(12)13/h7H,1-6H2,(H-,9,10)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine receptor D2				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50104649 (7-(2-Nitro-ethyl)-azepan-(2Z)-ylideneamine | CHEMB...) Show SMILES [O-][N+](=O)CCC1CCCCC(=[NH2+])[N-]1 Show InChI InChI=1S/C8H14N3O2/c9-8-4-2-1-3-7(10-8)5-6-11(12)13/h7H,1-6H2,(H-,9,10)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					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	PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104654 (2-(2-Amino-ethyl)-7-imino-azepane | CHEMBL92475) Show SMILES NCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C8H17N3/c9-6-5-7-3-1-2-4-8(10)11-7/h7H,1-6,9H2,(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 Similars	PubMed	n/a	n/a	701	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					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	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104655 (((E)-7-But-2-enyl)-azepan-(2Z)-ylideneamine | CHEM...) Show SMILES C\C=C\CC1CCCCC(N)=N1 |c:10| Show InChI InChI=1S/C10H18N2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3,(H2,11,12)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50104654 (2-(2-Amino-ethyl)-7-imino-azepane | CHEMBL92475) Show SMILES NCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C8H17N3/c9-6-5-7-3-1-2-4-8(10)11-7/h7H,1-6,9H2,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	932	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104648 (3-(2-Nitro-ethyl)-[1,4]oxazepan-(5Z)-ylideneamine ...) Show SMILES [O-][N+](=O)CCC1COCCC(=[NH2+])[N-]1 Show InChI InChI=1S/C7H12N3O3/c8-7-2-4-13-5-6(9-7)1-3-10(11)12/h6H,1-5H2,(H-,8,9)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	979	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine receptor D1				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50049257 (Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...) Show SMILES NC1=NCCCCC1 |t:1| Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(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	PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104656 (3-Butyl-[1,4]oxazepan-(5Z)-ylideneamine | CHEMBL89...) Show SMILES CCCCC1COCCC(N)=N1 |c:10| Show InChI InChI=1S/C9H18N2O/c1-2-3-4-8-7-12-6-5-9(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 Patents	PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104653 (CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...) Show SMILES NC1=NCCSCC1 |t:1| Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50104649 (7-(2-Nitro-ethyl)-azepan-(2Z)-ylideneamine | CHEMB...) Show SMILES [O-][N+](=O)CCC1CCCCC(=[NH2+])[N-]1 Show InChI InChI=1S/C8H14N3O2/c9-8-4-2-1-3-7(10-8)5-6-11(12)13/h7H,1-6H2,(H-,9,10)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of endothelial nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50104655 (((E)-7-But-2-enyl)-azepan-(2Z)-ylideneamine | CHEM...) Show SMILES C\C=C\CC1CCCCC(N)=N1 |c:10| Show InChI InChI=1S/C10H18N2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3,(H2,11,12)/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50049257 (Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...) Show SMILES NC1=NCCCCC1 |t:1| Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(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	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005841 ((exo) 4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-y...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN2CCC[C@H]12 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine receptor D2				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-2 receptor				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50181838 (4-amino-5-chloro-2-ethoxy-N-[(1S,7aS)-hexahydro-1H...) Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C17H24ClN3O2/c1-2-23-16-9-14(19)13(18)8-12(16)17(22)20-10-11-5-7-21-6-3-4-15(11)21/h8-9,11,15H,2-7,10,19H2,1H3,(H,20,22)/t11-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine receptor D2				J Med Chem 49: 1125-39 (2006) Article DOI: 10.1021/jm0509501 BindingDB Entry DOI: 10.7270/Q2W096Q0
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50104648 (3-(2-Nitro-ethyl)-[1,4]oxazepan-(5Z)-ylideneamine ...) Show SMILES [O-][N+](=O)CCC1COCCC(=[NH2+])[N-]1 Show InChI InChI=1S/C7H12N3O3/c8-7-2-4-13-5-6(9-7)1-3-10(11)12/h6H,1-5H2,(H-,8,9)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104651 (3-(2-Amino-ethyl)-5-imino-[1,4]oxazepane | CHEMBL8...) Show SMILES NCCC1COCCC(N)=N1 |c:9| Show InChI InChI=1S/C7H15N3O/c8-3-1-6-5-11-4-2-7(9)10-6/h6H,1-5,8H2,(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	PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50104653 (CHEMBL88308 | [1,4]Thiazepan-(5E)-ylideneamine | [...) Show SMILES NC1=NCCSCC1 |t:1| Show InChI InChI=1S/C5H10N2S/c6-5-1-3-8-4-2-7-5/h1-4H2,(H2,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50104651 (3-(2-Amino-ethyl)-5-imino-[1,4]oxazepane | CHEMBL8...) Show SMILES NCCC1COCCC(N)=N1 |c:9| Show InChI InChI=1S/C7H15N3O/c8-3-1-6-5-11-4-2-7(9)10-6/h6H,1-5,8H2,(H2,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	8.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104657 (((E)-3-But-2-enyl)-[1,4]oxazepan-(5Z)-ylideneamine...) Show SMILES C\C=C\CC1COCCC(N)=N1 |c:10| Show InChI InChI=1S/C9H16N2O/c1-2-3-4-8-7-12-6-5-9(10)11-8/h2-3,8H,4-7H2,1H3,(H2,10,11)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50049249 (Azocan-(2Z)-ylideneamine | CHEMBL329431) Show SMILES NC1=NCCCCCC1 |w:2.2| Show InChI InChI=1S/C7H14N2/c8-7-5-3-1-2-4-6-9-7/h1-6H2,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair

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