Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50138780'   

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 (Rattus norvegicus (rat))	BDBM50138780 (CHEMBL261992 | cyclo[Ala3]Dyn A-(1-11)NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35-,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50138780 (CHEMBL261992 | cyclo[Ala3]Dyn A-(1-11)NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35-,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.650	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair