Compile Data Set for Download or QSAR

Found 929 hits with Last Name = 'hassan' and Initial = 's'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256671 (CHEMBL4085431) Show SMILES OC(=O)C(O)=O.[H][C@]12CCC[C@](CCN1CCc1ccc(cc1)[N+]([O-])=O)([C@@H]2O)c1cccc(O)c1 |r,THB:15:14:10.9.8:26| Show InChI InChI=1S/C22H26N2O4.C2H2O4/c25-19-4-1-3-17(15-19)22-11-2-5-20(21(22)26)23(14-12-22)13-10-16-6-8-18(9-7-16)24(27)28;3-1(4)2(5)6/h1,3-4,6-9,15,20-21,25-26H,2,5,10-14H2;(H,3,4)(H,5,6)/t20-,21-,22-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting method				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50217952 ((1R,5R,9S)-(-)-9-hydroxy-5-(3-hydroxyphenyl-2-phen...) Show SMILES O[C@@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1| Show InChI InChI=1S/C22H27NO2/c24-19-9-4-8-18(16-19)22-12-5-10-20(21(22)25)23(15-13-22)14-11-17-6-2-1-3-7-17/h1-4,6-9,16,20-21,24-25H,5,10-15H2/t20-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by...				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585680 (CHEMBL5070349) Show SMILES CS\C(N)=N\C(=N\S(=O)(=O)N1CCC(CC1)C(F)(F)F)\N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:24| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256672 (CHEMBL4078283) Show SMILES OC(=O)C(O)=O.[H][C@@]12CCC[C@@](CCN1C\C=C\c1ccccc1)([C@H]2O)c1cccc(O)c1 |r,THB:15:14:24:10.8.9| Show InChI InChI=1S/C23H27NO2.C2H2O4/c25-20-11-4-10-19(17-20)23-13-5-12-21(22(23)26)24(16-14-23)15-6-9-18-7-2-1-3-8-18;3-1(4)2(5)6/h1-4,6-11,17,21-22,25-26H,5,12-16H2;(H,3,4)(H,5,6)/b9-6+;/t21-,22-,23-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by...				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585661 (CHEMBL5076792) Show SMILES CC(C)(C)C(\N)=N\C(=N\S(=O)(=O)N1CCC(CC1)C(F)(F)F)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:26| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585682 (CHEMBL5085017) Show SMILES CCN(CC)S(=O)(=O)\N=C(\N=C(\C)N)/N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:17| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520843 (CHEMBL4585732) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3cccc(F)c3)c3ccc(Br)cc23)cc1 Show InChI InChI=1S/C28H21BrFN5O4S/c29-18-4-13-25-24(15-18)26(27(36)35(25)16-17-2-1-3-19(30)14-17)32-20-5-7-21(8-6-20)33-28(37)34-22-9-11-23(12-10-22)40(31,38)39/h1-15H,16H2,(H2,31,38,39)(H2,33,34,37)/b32-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585678 (CHEMBL5093228) Show SMILES C\C(N)=N/C(=N/S(=O)(=O)N1CCCCC1)/N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:19| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256673 (CHEMBL4102551) Show SMILES Cl.[H][C@]12CCC[C@](CCN1CCc1ccc(cc1)C(F)(F)F)([C@@H]2O)c1cccc(O)c1 |r,THB:10:9:5.4.3:22| Show InChI InChI=1S/C23H26F3NO2.ClH/c24-23(25,26)17-8-6-16(7-9-17)10-13-27-14-12-22(11-2-5-20(27)21(22)29)18-3-1-4-19(28)15-18;/h1,3-4,6-9,15,20-21,28-29H,2,5,10-14H2;1H/t20-,21-,22-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting method				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by...				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585660 (CHEMBL5080268) Show SMILES CS\C(N)=N\C(=N\S(=O)(=O)N1CCC(CC1)C(F)(F)F)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585649 (CHEMBL5087110) Show SMILES C\C(N)=N/C(=N/S(=O)(=O)N1CCCCC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585657 (CHEMBL5092394) Show SMILES N\C(=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1 |c:20| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585654 (CHEMBL5087041) Show SMILES C\C(N)=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:21| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520838 (CHEMBL4579656) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3cccc(F)c3)c3ccccc23)cc1 Show InChI InChI=1S/C28H22FN5O4S/c29-19-5-3-4-18(16-19)17-34-25-7-2-1-6-24(25)26(27(34)35)31-20-8-10-21(11-9-20)32-28(36)33-22-12-14-23(15-13-22)39(30,37)38/h1-16H,17H2,(H2,30,37,38)(H2,32,33,36)/b31-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585659 (CHEMBL5073465) Show SMILES C\C(N)=N\C(=N\S(=O)(=O)N1CCC(CC1)C(F)(F)F)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:23| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in rat brain after 60 mins by liquid scintillation counting method				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50520834 (CHEMBL4533369) Show SMILES Cc1ccc(CN2C(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C29H25N5O4S/c1-19-6-8-20(9-7-19)18-34-26-5-3-2-4-25(26)27(28(34)35)31-21-10-12-22(13-11-21)32-29(36)33-23-14-16-24(17-15-23)39(30,37)38/h2-17H,18H2,1H3,(H2,30,37,38)(H2,32,33,36)/b31-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513674 (CHEMBL4458485) Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585676 (CHEMBL5075684) Show SMILES CCN(CC)S(=O)(=O)\N=C(\N=C(/N)c1ccc(F)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585683 (CHEMBL5071344) Show SMILES N\C(=N/C(=N/S(=O)(=O)N1CCC(CC1)C(F)(F)F)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 |c:22| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585658 (CHEMBL5083073) Show SMILES N\C(=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 |c:20| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585673 (CHEMBL5090020) Show SMILES CCN(CC)S(=O)(=O)\N=C(\N=C(\C)N)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:17| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50513674 (CHEMBL4458485) Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585652 (CHEMBL5084492) Show SMILES N\C(=N\C(=N\S(=O)(=O)N1CCCCC1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1 |c:18| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585668 (CHEMBL5081757) Show SMILES C\C(N)=N\C(=N\S(=O)(=O)N1CCCC1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:18| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520842 (CHEMBL4547434) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3cccc(F)c3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C28H21ClFN5O4S/c29-18-4-13-25-24(15-18)26(27(36)35(25)16-17-2-1-3-19(30)14-17)32-20-5-7-21(8-6-20)33-28(37)34-22-9-11-23(12-10-22)40(31,38)39/h1-15H,16H2,(H2,31,38,39)(H2,33,34,37)/b32-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585653 (CHEMBL5089095) Show SMILES N\C(=N\C(=N\S(=O)(=O)N1CCCCC1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 |c:18| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520829 (CHEMBL4536441) Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H22ClN5O4S/c1-2-13-30-21-12-3-15(25)14-20(21)22(23(30)31)27-16-4-6-17(7-5-16)28-24(32)29-18-8-10-19(11-9-18)35(26,33)34/h3-12,14H,2,13H2,1H3,(H2,26,33,34)(H2,28,29,32)/b27-22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50520829 (CHEMBL4536441) Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H22ClN5O4S/c1-2-13-30-21-12-3-15(25)14-20(21)22(23(30)31)27-16-4-6-17(7-5-16)28-24(32)29-18-8-10-19(11-9-18)35(26,33)34/h3-12,14H,2,13H2,1H3,(H2,26,33,34)(H2,28,29,32)/b27-22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520833 (CHEMBL4569077) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3ccc(cc3)C#N)c3ccccc23)cc1 Show InChI InChI=1S/C29H22N6O4S/c30-17-19-5-7-20(8-6-19)18-35-26-4-2-1-3-25(26)27(28(35)36)32-21-9-11-22(12-10-21)33-29(37)34-23-13-15-24(16-14-23)40(31,38)39/h1-16H,18H2,(H2,31,38,39)(H2,33,34,37)/b32-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50520844 (CHEMBL4586587) Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2ccccc12 Show InChI InChI=1S/C24H23N5O4S/c1-2-15-29-21-6-4-3-5-20(21)22(23(29)30)26-16-7-9-17(10-8-16)27-24(31)28-18-11-13-19(14-12-18)34(25,32)33/h3-14H,2,15H2,1H3,(H2,25,32,33)(H2,27,28,31)/b26-22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50520840 (CHEMBL4460842) Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Br)ccc12 Show InChI InChI=1S/C22H18BrN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520834 (CHEMBL4533369) Show SMILES Cc1ccc(CN2C(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C29H25N5O4S/c1-19-6-8-20(9-7-19)18-34-26-5-3-2-4-25(26)27(28(34)35)31-21-10-12-22(13-11-21)32-29(36)33-23-14-16-24(17-15-23)39(30,37)38/h2-17H,18H2,1H3,(H2,30,37,38)(H2,32,33,36)/b31-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520841 (CHEMBL4467898) Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Br)ccc12 Show InChI InChI=1S/C24H22BrN5O4S/c1-2-13-30-21-12-3-15(25)14-20(21)22(23(30)31)27-16-4-6-17(7-5-16)28-24(32)29-18-8-10-19(11-9-18)35(26,33)34/h3-12,14H,2,13H2,1H3,(H2,26,33,34)(H2,28,29,32)/b27-22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50520833 (CHEMBL4569077) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3ccc(cc3)C#N)c3ccccc23)cc1 Show InChI InChI=1S/C29H22N6O4S/c30-17-19-5-7-20(8-6-19)18-35-26-4-2-1-3-25(26)27(28(35)36)32-21-9-11-22(12-10-21)33-29(37)34-23-13-15-24(16-14-23)40(31,38)39/h1-16H,18H2,(H2,31,38,39)(H2,33,34,37)/b32-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50256671 (CHEMBL4085431) Show SMILES OC(=O)C(O)=O.[H][C@]12CCC[C@](CCN1CCc1ccc(cc1)[N+]([O-])=O)([C@@H]2O)c1cccc(O)c1 |r,THB:15:14:10.9.8:26| Show InChI InChI=1S/C22H26N2O4.C2H2O4/c25-19-4-1-3-17(15-19)22-11-2-5-20(21(22)26)23(14-12-22)13-10-16-6-8-18(9-7-16)24(27)28;3-1(4)2(5)6/h1,3-4,6-9,15,20-21,25-26H,2,5,10-14H2;(H,3,4)(H,5,6)/t20-,21-,22-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585675 (CHEMBL5085413) Show SMILES CCN(CC)S(=O)(=O)\N=C(\N=C(/N)C(C)(C)C)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:20| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585677 (CHEMBL5086960) Show SMILES CCN(CC)S(=O)(=O)\N=C(\N=C(/N)c1ccc(Cl)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585671 (CHEMBL5084642) Show SMILES N\C(=N/C(=N/S(=O)(=O)N1CCCC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1 |c:17| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256674 (CHEMBL4086171) Show SMILES OC(=O)C(O)=O.[H][C@]12CCC[C@](CCN1C[C@@H]1C[C@@H]1c1ccccc1)([C@H]2O)c1cccc(O)c1 |r,TLB:15:14:10.9.8:25| Show InChI InChI=1S/C24H29NO2.C2H2O4/c26-20-9-4-8-19(15-20)24-11-5-10-22(23(24)27)25(13-12-24)16-18-14-21(18)17-6-2-1-3-7-17;3-1(4)2(5)6/h1-4,6-9,15,18,21-23,26-27H,5,10-14,16H2;(H,3,4)(H,5,6)/t18-,21+,22+,23-,24+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by...				Bioorg Med Chem 25: 2406-2422 (2017) Article DOI: 10.1016/j.bmc.2017.02.064 BindingDB Entry DOI: 10.7270/Q2765HS8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585674 (CHEMBL5081180) Show SMILES CCN(CC)S(=O)(=O)\N=C(\N=C(/N)SC)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:18| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585655 (CHEMBL5076422) Show SMILES CS\C(N)=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:22| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50585662 (CHEMBL5088686) Show SMILES N\C(=N/C(=N/S(=O)(=O)N1CCC(CC1)C(F)(F)F)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1 |c:22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB2R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50585650 (CHEMBL5087924) Show SMILES CS\C(N)=N/C(=N/S(=O)(=O)N1CCCCC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:20| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01836 BindingDB Entry DOI: 10.7270/Q2154MZ5
					More data for this Ligand-Target Pair

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