Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'chittiboyina' and Initial = 'ag'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin) assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50026603 (Buprenorphine | CHEBI:3216) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin) assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50026614 (CHEMBL575508) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r| Show InChI InChI=1S/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50464462 (CHEMBL4283681) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H42N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,23,26,29,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t23?,26-,29?,31+,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012152 (CHEMBL3264441) Show SMILES CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H36N2O6/c1-4-35-27(34)25(36-26(33)24-13-19-8-9-23(32)12-20(19)15-29-24)17-30-11-10-28(3,18(2)16-30)21-6-5-7-22(31)14-21/h5-9,12,14,18,24-25,29,31-32H,4,10-11,13,15-17H2,1-3H3/t18-,24+,25?,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50464462 (CHEMBL4283681) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H42N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,23,26,29,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t23?,26-,29?,31+,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50464462 (CHEMBL4283681) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H42N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,23,26,29,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t23?,26-,29?,31+,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50464461 (CHEMBL4290635) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin)				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303975 (3'-(4-(2-(1H-Tetrazol-5-yl)ethyl)benzyl)-1,7'-dime...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C29H30N8/c1-4-7-27-31-28-19(2)16-22(29-30-23-8-5-6-9-24(23)36(29)3)17-25(28)37(27)18-21-12-10-20(11-13-21)14-15-26-32-34-35-33-26/h5-6,8-13,16-17H,4,7,14-15,18H2,1-3H3,(H,32,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027038 (CHEMBL2112474) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50464460 (CHEMBL4295159) Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |r| Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38-,43-,44-,45-,46-,47-,48-,49?,50+,54-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin)				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50026614 (CHEMBL575508) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r| Show InChI InChI=1S/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50012151 (CHEMBL3264440) Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from rat mu-opioid receptor in expressed in rat C6 cell membranes after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from rat mu-opioid receptor in expressed in rat C6 cell membranes after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027051 (CHEMBL2112472) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50027038 (CHEMBL2112474) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012151 (CHEMBL3264440) Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50026614 (CHEMBL575508) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r| Show InChI InChI=1S/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	616	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50027051 (CHEMBL2112472) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	764	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303976 (3'-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303977 (3-(4-(2-(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-biben...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C37H38N4O4/c1-5-11-33-39-34-25(2)22-27(35-38-30-14-9-10-15-31(30)40(35)4)23-32(34)41(33)20-21-44-28-18-16-26(17-19-28)24-37(3,36(42)43)45-29-12-7-6-8-13-29/h6-10,12-19,22-23H,5,11,20-21,24H2,1-4H3,(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303979 (CHEMBL571763 | Ethyl 3-(4-(2-(1,7'-Dimethyl-2'-pro...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C39H42N4O4/c1-6-13-35-41-36-27(3)24-29(37-40-32-16-11-12-17-33(32)42(37)5)25-34(36)43(35)22-23-46-30-20-18-28(19-21-30)26-39(4,38(44)45-7-2)47-31-14-9-8-10-15-31/h8-12,14-21,24-25H,6-7,13,22-23,26H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303978 (1-(4-(2-(1H-tetrazol-5-yl)ethyl)benzyl)-4-methyl-2...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1 Show InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14-17-10-8-16(9-11-17)12-13-19-23-25-26-24-19/h4,6-11H,3,5,12-14H2,1-2H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50027038 (CHEMBL2112474) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50027051 (CHEMBL2112472) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303980 (1-(4-((1H-Tetrazol-5-yl)methoxy)benzyl)-4-methyl-2...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCc2nnn[nH]2)cc1 Show InChI InChI=1S/C20H22N6O/c1-3-5-19-21-20-14(2)6-4-7-17(20)26(19)12-15-8-10-16(11-9-15)27-13-18-22-24-25-23-18/h4,6-11H,3,5,12-13H2,1-2H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303981 (CHEMBL567063 | Ethyl 3-(4-((4-Methyl-2-propyl-1H-b...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(\C=C\C(=O)OCC)cc1 Show InChI InChI=1S/C23H26N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-15H,4-5,7,16H2,1-3H3/b15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303982 (CHEMBL567689 | Methyl 3-(4-((4-Methyl-2-propyl-1H-...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCC(=O)OCC)cc1 Show InChI InChI=1S/C23H28N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-13H,4-5,7,14-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303983 (CHEMBL565793 | ethyl 2-(4-((4-methyl-2-propyl-1H-b...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCC(=O)OCC)cc1 Show InChI InChI=1S/C22H26N2O3/c1-4-7-20-23-22-16(3)8-6-9-19(22)24(20)14-17-10-12-18(13-11-17)27-15-21(25)26-5-2/h6,8-13H,4-5,7,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303984 (CHEMBL565379 | Ethyl 2-Methyl-2-(4-((4-methyl-2-pr...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OC(C)(C)C(=O)OCC)cc1 Show InChI InChI=1S/C24H30N2O3/c1-6-9-21-25-22-17(3)10-8-11-20(22)26(21)16-18-12-14-19(15-13-18)29-24(4,5)23(27)28-7-2/h8,10-15H,6-7,9,16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303986 (CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...) Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1 Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303985 (CHEMBL567269 | Ethyl 2,2-Dimethyl-3-(4-(2-(4-methy...) Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(C)C(=O)OCC)cc1 Show InChI InChI=1S/C26H34N2O3/c1-6-9-23-27-24-19(3)10-8-11-22(24)28(23)16-17-31-21-14-12-20(13-15-21)18-26(4,5)25(29)30-7-2/h8,10-15H,6-7,9,16-18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50169371 (1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopropylmethyl-...) Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC3CC3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C30H30Cl2N4O/c31-26-15-27(32)17-28(16-26)35-29(37)34-20-30(10-12-36(13-11-30)19-21-4-5-21)25-8-6-23(7-9-25)24-3-1-2-22(14-24)18-33/h1-3,6-9,14-17,21H,4-5,10-13,19-20H2,(H2,34,35,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50169377 (1-[4-(3'-Cyano-biphenyl-4-yl)-1-propyl-piperidin-4...) Show SMILES CCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C29H30Cl2N4O/c1-2-12-35-13-10-29(11-14-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-8-6-22(7-9-24)23-5-3-4-21(15-23)19-32/h3-9,15-18H,2,10-14,20H2,1H3,(H2,33,34,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50169374 (1-[4-(3'-Cyano-biphenyl-4-yl)-1-(2-methoxy-ethyl)-...) Show SMILES COCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C29H30Cl2N4O2/c1-37-14-13-35-11-9-29(10-12-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-7-5-22(6-8-24)23-4-2-3-21(15-23)19-32/h2-8,15-18H,9-14,20H2,1H3,(H2,33,34,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50168812 (1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...) Show SMILES CN(C)CCC(CNC(=O)Nc1cc(F)cc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H26F2N4O/c1-32(2)11-10-22(17-30-26(33)31-25-14-23(27)13-24(28)15-25)20-8-6-19(7-9-20)21-5-3-4-18(12-21)16-29/h3-9,12-15,22H,10-11,17H2,1-2H3,(H2,30,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50168825 (1-(3-Chloro-4-fluoro-phenyl)-3-[2-(3'-cyano-biphen...) Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H26ClFN4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-25(28)24(27)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50169382 (1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclohexyl-piperid...) Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C32H34Cl2N4O/c33-27-18-28(34)20-29(19-27)37-31(39)36-22-32(13-15-38(16-14-32)30-7-2-1-3-8-30)26-11-9-24(10-12-26)25-6-4-5-23(17-25)21-35/h4-6,9-12,17-20,30H,1-3,7-8,13-16,22H2,(H2,36,37,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50168800 (1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...) Show SMILES CN(C)CCC(CNC(=O)Nc1cccc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H27FN4O/c1-31(2)14-13-23(18-29-26(32)30-25-8-4-7-24(27)16-25)21-11-9-20(10-12-21)22-6-3-5-19(15-22)17-28/h3-12,15-16,23H,13-14,18H2,1-2H3,(H2,29,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50192637 (3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...) Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C29H34Cl2N6/c1-35-10-12-36(13-11-35)8-3-9-37(28-33-26-16-24(30)25(31)17-27(26)34-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-32/h2,4-5,14,16-17,22-23H,3,6-13,15,18H2,1H3,(H,33,34)/t22-,23+,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50169398 (1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...) Show SMILES CN1CCC(CNC(=O)Nc2ccccc2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C27H28N4O/c1-31-16-14-27(15-17-31,20-29-26(32)30-25-8-3-2-4-9-25)24-12-10-22(11-13-24)23-7-5-6-21(18-23)19-28/h2-13,18H,14-17,20H2,1H3,(H2,29,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50168823 (1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...) Show SMILES CN(C)CCC(CNC(=O)Nc1ccccc1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H28N4O/c1-30(2)16-15-24(19-28-26(31)29-25-9-4-3-5-10-25)22-13-11-21(12-14-22)23-8-6-7-20(17-23)18-27/h3-14,17,24H,15-16,19H2,1-2H3,(H2,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50169391 (1-(3,5-Dichloro-phenyl)-3-[1-methyl-4-(4-pyridin-3...) Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C25H26Cl2N4O/c1-31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186837 (4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(5.53,-27.52,;4.76,-28.85,;3.23,-28.86,;2.47,-30.18,;.96,-30.5,;.81,-32.03,;2.21,-32.66,;3.23,-31.51,;4.77,-31.52,;5.54,-30.19,;7.08,-30.19,;8.62,-30.18,;7.08,-31.73,;7.08,-28.65,;-.53,-32.81,;-.52,-34.35,;-1.86,-35.11,;-1.86,-36.64,;-.53,-37.42,;-.53,-38.96,;-1.87,-39.72,;-3.41,-39.72,;-2.64,-41.06,;.8,-36.65,;.81,-35.1,;-1.86,-32.04,;-3.2,-32.81,;-4.53,-32.04,;-4.53,-30.5,;-3.2,-29.73,;-1.87,-30.49,;-5.86,-29.73,;-7.19,-30.5,;-8.52,-29.73,;-8.53,-28.19,;-7.19,-27.42,;-5.86,-28.18,;-7.19,-25.87,;-7.19,-24.33,)| Show InChI InChI=1S/C31H26F4N4/c32-26-16-28-27(15-25(26)31(33,34)35)37-30(38-28)29(23-10-12-39(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-36/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186834 (4'-[6-cyclopropylmethyl-1-(5-fluoro-6-trifluoromet...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C32H28F4N4/c33-26-16-28-27(15-25(26)32(34,35)36)38-29(39-28)31(19-30(31)10-12-40(13-11-30)18-20-4-5-20)24-8-6-22(7-9-24)23-3-1-2-21(14-23)17-37/h1-3,6-9,14-16,20H,4-5,10-13,18-19H2,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126741 BindingDB Entry DOI: 10.7270/Q2GH9NDS
					More data for this Ligand-Target Pair

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