Compile Data Set for Download or QSAR

Found 454 hits with Last Name = 'rizzo' and Initial = 'ca'   

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
Androgen receptor (Homo sapiens (Human))	BDBM50157823 ((2R,6S)-4-(4-Bromo-3-methyl-phenyl)-4-aza-tricyclo...) Show SMILES Cc1cc(ccc1Br)-n1c(O)c2C3CCC(C=C3)c2c1O |c:17,THB:9:11:16.17:13.14| Show InChI InChI=1S/C17H16BrNO2/c1-9-8-12(6-7-13(9)18)19-16(20)14-10-2-3-11(5-4-10)15(14)17(19)21/h2-3,6-8,10-11,20-21H,4-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity for mutant T877A Androgen receptor in human LNCaP cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116083 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116091 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116082 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116074 (CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116076 (CHEMBL441252 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4'...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116080 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116074 (CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157826 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:7,THB:10:9:7.8:4.5,(.45,2.28,;-.79,1.39,;-2.24,1.86,;-3.71,2.32,;-4.12,3.9,;-4.98,2.62,;-4.64,1.11,;-6.17,.83,;-5.2,2.02,;-3.15,.6,;-2.24,-.63,;-2.72,-2.1,;-.79,-.16,;.54,-.93,;.54,-2.47,;1.86,-3.23,;3.19,-2.47,;4.53,-3.23,;4.53,-4.76,;5.83,-2.48,;3.19,-.93,;4.53,-.16,;4.53,1.39,;3.17,2.14,;1.86,1.39,;1.86,-.16,)| Show InChI InChI=1S/C20H16N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-6,9-12,23-24H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity for mutant T877A Androgen receptor in human LNCaP cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158075 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4,(.02,2.61,;-1.14,1.58,;-2.64,1.89,;-4.27,2.42,;-4.54,3.83,;-4.67,1.18,;-5.99,.53,;-5.37,1.65,;-3.41,.55,;-2.38,-.59,;-2.7,-2.09,;-.97,.04,;.36,-.73,;.36,-2.28,;1.69,-3.05,;3.02,-2.28,;4.36,-3.05,;4.36,-4.59,;5.71,-2.28,;3.02,-.73,;4.36,.04,;4.36,1.58,;3.02,2.33,;1.69,1.57,;1.69,.04,)| Show InChI InChI=1S/C19H14N2O4/c22-18-16-10-5-6-11(9-10)17(16)19(23)20(18)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-8,10-11,22-23H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116082 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158078 ((2S,6R)-4-(4-Bromo-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Br)c(c1)C(F)(F)F |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C16H11BrF3NO2/c17-11-4-3-9(6-10(11)16(18,19)20)21-14(22)12-7-1-2-8(5-7)13(12)15(21)23/h1-4,6-8,22-23H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116090 (1-(2-{1'-[5-[(3,5-Dichloro-benzoyl)-ethyl-amino]-3...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)C2CCN(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H49Cl4N5O4/c1-44-14-8-25(9-15-44)36(48)22-27-5-4-13-47(38(27)50)31-10-16-46(17-11-31)18-12-32(26-6-7-33(41)34(42)21-26)35(43-51-3)24-45(2)37(49)28-19-29(39)23-30(40)20-28/h6-7,19-21,23,25,27,31-32H,4-5,8-18,22,24H2,1-3H3/b43-35+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116088 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116090 (1-(2-{1'-[5-[(3,5-Dichloro-benzoyl)-ethyl-amino]-3...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)C2CCN(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H49Cl4N5O4/c1-44-14-8-25(9-15-44)36(48)22-27-5-4-13-47(38(27)50)31-10-16-46(17-11-31)18-12-32(26-6-7-33(41)34(42)21-26)35(43-51-3)24-45(2)37(49)28-19-29(39)23-30(40)20-28/h6-7,19-21,23,25,27,31-32H,4-5,8-18,22,24H2,1-3H3/b43-35+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116080 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116076 (CHEMBL441252 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4'...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116075 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116087 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116091 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116075 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116083 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116087 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116085 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116089 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158075 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4,(.02,2.61,;-1.14,1.58,;-2.64,1.89,;-4.27,2.42,;-4.54,3.83,;-4.67,1.18,;-5.99,.53,;-5.37,1.65,;-3.41,.55,;-2.38,-.59,;-2.7,-2.09,;-.97,.04,;.36,-.73,;.36,-2.28,;1.69,-3.05,;3.02,-2.28,;4.36,-3.05,;4.36,-4.59,;5.71,-2.28,;3.02,-.73,;4.36,.04,;4.36,1.58,;3.02,2.33,;1.69,1.57,;1.69,.04,)| Show InChI InChI=1S/C19H14N2O4/c22-18-16-10-5-6-11(9-10)17(16)19(23)20(18)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-8,10-11,22-23H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50366786 (CHEMBL540651) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)[S+]2CCNCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H46Cl4N5O4S/c1-43(35(47)26-18-27(37)22-28(38)19-26)23-33(42-49-2)30(24-5-6-31(39)32(40)20-24)9-15-44-13-7-29(8-14-44)45-12-3-4-25(36(45)48)21-34(46)50-16-10-41-11-17-50/h5-6,18-20,22,25,29-30,41H,3-4,7-17,21,23H2,1-2H3/q+1/b42-33+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18162 ((1R,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4-diazatri...) Show SMILES Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)| Show InChI InChI=1S/C18H15N3O4/c22-17-16-10-5-6-11(9-10)19(16)18(23)20(17)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-4,7-8,10-11,22H,5-6,9H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372090 (CHEMBL403668) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H15IN2O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-4-3-9(8-19)11(18)7-10/h3-4,7,21-22H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116077 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116089 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116077 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116088 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116075 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116075 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116085 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM86188 (CHEMBL366977 | SCH 79687) Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 1037-44 (2003) Article DOI: 10.1124/jpet.103.049254 BindingDB Entry DOI: 10.7270/Q24B2ZVV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158067 ((2S,6R)-4-(3-Chloro-4-fluoro-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |TLB:9:8:7:4.5,THB:1:2:7:4.5| Show InChI InChI=1S/C16H13F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h3-4,6-8,22-23H,1-2,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity for mutant T877A Androgen receptor in human LNCaP cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158073 ((2R,6S)-4-[3-(trifluoromethyl)phenyl]-4-azatricycl...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:7:5.4,THB:9:8:7:5.4| Show InChI InChI=1S/C16H14F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-3,7-9,21-22H,4-6H2	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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50204245 (CHEMBL3898284) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5| Show InChI InChI=1S/C17H15F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h2-5,7,10,12,15H,6,9H2,1H3/t10-,12+,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM35909 (2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (GUINEA PIG)	BDBM50116074 (CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50110663 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-met...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116086 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116084 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CCC(\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116084 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CCC(\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50366786 (CHEMBL540651) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)[S+]2CCNCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H46Cl4N5O4S/c1-43(35(47)26-18-27(37)22-28(38)19-26)23-33(42-49-2)30(24-5-6-31(39)32(40)20-24)9-15-44-13-7-29(8-14-44)45-12-3-4-25(36(45)48)21-34(46)50-16-10-41-11-17-50/h5-6,18-20,22,25,29-30,41H,3-4,7-17,21,23H2,1-2H3/q+1/b42-33+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair

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